Lab

Current members.

• 

  Byung-Hyun Kim (김병현)

  Principal Investigator

  bhkim00 at hanyang.ac.kr

  Department of Energy and Bio Sciences, Hanyang University ERICA

  Department of Applied Chemistry, Hanyang University

  Profile ›

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  76 publications · 1,672 citations (OpenAlex) · 165 presentations

  Byung-Hyun Kim (김병현)

  Principal Investigator

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Chemistry of Selective Metal Ions Adsorption and Loading onto PVAc Polymer Brush during Advanced Metal Post-CMP Cleaning

    Maheepal Yadav, Sanjay Bisht, Byung-Hyun Kim, Se-Hoon Park, Tae-Gon Kim, Jihoon Seo^*, and Jin-Goo Park^*

    Applied Surface Science 752, 168292 (2027) · IF 6.6, Q1, top 19.1% (JCR 2025)

    DOI: 10.1016/j.apsusc.2026.168292

  • Redox-Active Ligand-Stabilized Lithium Iron Phosphate Nanoparticles for High-Performance Lithium-Ion Battery Cathode with High Capacities and Long-Term Stability

    Jiwon Bok^†, Jeongyeon Ahn^†, Bogeun Park^†, Donghyeon Nam^†, Hee Seung Ryu, Uijun Lee, Jaeyeong Jang, Shihyun Chang, Sungha Choi, Minseong Kwon, Woojae Chang, Du Yeol Ryu, Daegun Kim, Hee-Dae Lim, Byung-Hyun Kim^*, Yongmin Ko^*, and Jinhan Cho^*

    Nano-Micro Letters 19, 12 (2027) · IF 38.5, Q1, top 0.8% (JCR 2025)

    DOI: 10.1007/s40820-026-02313-6

  • Single-Atom Active Sites in Polymeric Phthalocyanine Hybrid Electrocatalysis for High-Efficiency Lithium–Carbon Dioxide Batteries

    Huiju Kim^†, Jun Su Kim^†, Huncheol Seo^†, Yeji Lim, Suji Kim, Yoon Jeong Yoo, Yoonbin Kim, Won Il Kim, Hyun Chul Kim, Minhyeok Choi, Kihyun Shin, Byung-Hyun Kim^*, Ho Seok Park^*, and Won-Hee Ryu^*

    Advanced Functional Materials e78821 · IF 19.9, Q1, top 4.2% (JCR 2025) In press

    DOI: 10.1002/adfm.78821

  • Sustainable Low-Valent Iridium Active Sites in Rhenium Doped Perovskite Iridates for Efficient Acidic Oxygen Evolution Reaction via Hybridized Reaction Pathways

    SungJae Park^†, Jaekyum Kim^†, Daehee Yang^†, Jinkyu Lim^†, Seong Hyun Park, Min Gyu Choi, Kang Taek Lee, Jihye Lee, Ashishi Gaur, Ghulam Ali, Haryeon Baek, In-Hui Hwang, Mingony Kim, Kyung Yoon Chung, Jung Kyu Kim^*, Young-Min Kim^*, Byung-Hyun Kim^*, and HyukSu Han^*

    Angewandte Chemie-International Edition e1466065 · IF 17.6, Q1, top 6.2% (JCR 2025) In press

    DOI: 10.1002/anie.1466065

  • Upcycled Polymer Waste-Derived N-Doped Carbon Supports Enabling Durable PtCo Catalysts for PEM Fuel Cells

    Yewon Kim^†, Daehyeon Seo^†, Min Seo Kim, Su Min Ahn, Se Youn Cho, Yunji Kim, Jiho Choi, Byung-Hyun Kim^*, Hongseok Yun^*, and Young Jun Lee^*

    Chemical Engineering Journal 547, 180588 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.180588

  • Synergistic Corrosion Inhibition of Interfacially Engineered Al-O/CNT Composites through Al-O-C Chemical Anchoring

    Seon-Min Kim, Seoyoon Gong, JaeBeom Hwang, Byung-Hyun Kim, Donghyun Bae, and Se-Eun Shin^*

    npj Materials Degradation 10, 121 (2026) · IF 7.5, Q1, top 23.2% (JCR 2025)

    DOI: 10.1038/s41529-026-00865-x

  • Solar-thermal 3D-interconnected Macroporous Carbon Nanoreactors for Solvent-minimized Paste-state Suzuki Coupling

    Dongchan Lee^†, Incheol Heo^†, YongJoo Kim, Byung-Hyun Kim, Hyungphil Chun, Michael Tsapatsis, Won Cheol Yoo^*, and Kwang-Suk Jang^*

    Chemical Engineering Journal 547, 179658 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.179658

  • Diverting the Use of Reduced TiO₂ from a Carrier of Electron–Hole Pairs to a Reservoir of Brönsted–Lewis Acidic Pairs for Sustainable, Non-Optical H₂O₂ Homolysis

    Minsung Kim^†, Gyuchan Kim^†, Junseo Kim, Sang Hoon Kim^*, Byung-Hyun Kim^*, and Jongsik Kim^*

    Journal of Materials Chemistry A 14, 28907 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Inside Front Cover

    DOI: 10.1039/D6TA01339BCited by 1

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    Cited by 1 works

    Diverting the Use of Reduced TiO₂ from a Carrier of Electron–Hole Pairs to a Reservoir of Brönsted–Lewis Acidic Pairs for Sustainable, Non-Optical H₂O₂ Homolysis

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  • Breaking the Water Dissociation–Hydrogen Adsorption Trade-off through W Single-Atom Engineering for Alkaline Hydrogen Evolution

    Taeyoung Jeong^†, Gyuchan Kim^†, Byung-Hyun Kim^*, and Myeongjin Kim^*

    Applied Catalysis B: Environment and Energy 399, 127056 (2026) · IF 19.7, Q1, top 1.7% (JCR 2025)

    DOI: 10.1016/j.apcatb.2026.127056Cited by 2

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    Cited by 2 works

    Breaking the Water Dissociation–Hydrogen Adsorption Trade-off through W Single-Atom Engineering for Alkaline Hydrogen Evolution

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  • Facilitating Hydrogen Evolution Reaction Activity in Alkaline Water Electrolysis via Formation of Ni-Co₂P Heterojunction

    Junseok Sim^†, Wan Sik Kim^†, Jaekyum Kim, Asiya M. Tamboli, Younghan Jung, Sejin Im, JunSeok Oh, Jung Kyu Kim, Byung-Hyun Kim^*, and Chang-Hee Kim^*

    Energy & Environmental Materials e70385 · IF 13.8, Q1, top 10.2% (JCR 2025) In press

    DOI: 10.1002/eem2.70385Cited by 2

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    Cited by 2 works

    Facilitating Hydrogen Evolution Reaction Activity in Alkaline Water Electrolysis via Formation of Ni-Co₂P Heterojunction

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  • Vacancy-Mediated Dual-Step Phosphorization–Sulfurization of MnMoO₄ for Efficient Acidic Hydrogen Evolution

    Jyoti Ganapati Badiger, Chae-Eun Lim, Fawad Tariq, Maheswari Arunachalam, Suzan Abdelfattah Sayed, Alaa M. Ibrahim, Sang-Wan Ryu, Byung-Hyun Kim^*, and Soon Hyung Kang^*

    Journal of Materials Chemistry A 14, 26673 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Front Cover

    DOI: 10.1039/D6TA01695B

  • Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

    Kwangsoo Kim, Matthew J. Wolf, YongJoo Kim^*, and Byung-Hyun Kim^*

    Chemical Engineering Journal 536, 176134 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.176134Cited by 4

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    Cited by 4 works

    Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

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  • Spatially Extended Interfacial Optimization via Holey-Defect Architectures for Hydrogen Evolution Reaction

    Chengang Pei^†, Jaekyum Kim^†, Dong Zhang, Won Tae Hong, Jong Hun Kim, Xu Yu, Jongwook Park, Chan-Hwa Chung, Byung-Hyun Kim^*, Ho Seok Park^*, and Jung Kyu Kim^*

    Small 22, e00032 (2026) · IF 11.8, Q1, top 8.1% (JCR 2025)

    DOI: 10.1002/smll.202600032Cited by 2

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    Spatially Extended Interfacial Optimization via Holey-Defect Architectures for Hydrogen Evolution Reaction

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  • Molybdenum Ion-Induced Adhesion of Colloidal Silica to Polyvinyl Acetal Brushes in Post-Chemical Mechanical Planarization Applications: Experiments and Multiscale Simulations

    Sumit Kumar, Palwasha Jalalzai, Tae-Gon Kim, Jihoon Seo, Junsang Lee, Gayoung Kim, In-Kwon Kim, Sangkyun Kim, Byung-Hyun Kim^*, and Jin-Goo Park^*

    ACS Applied Materials & Interfaces 18, 27086 (2026) · IF 7.8, Q1, top 22.4% (JCR 2025)

    DOI: 10.1021/acsami.6c05073Cited by 2

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    Cited by 2 works

    Molybdenum Ion-Induced Adhesion of Colloidal Silica to Polyvinyl Acetal Brushes in Post-Chemical Mechanical Planarization Applications: Experiments and Multiscale Simulations

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  • All-Inorganic Perovskite@SiO₂ Quantum Dots for Amplifying the Interfacial Electric Field on WO₃ Toward Enhanced Photoelectrochemical Water Splitting

    Won Tae Hong^†, Yuankai Li^†, Jaekyum Kim, Dokyum Kim, Jaemin Park, Wooseok Yang, Jongwook Park, Hanleem Lee, Chang Hyuck Choi, Byung-Hyun Kim, Chang-Lyoul Lee^*, Tae-Hoon Kim^*, and Jung Kyu Kim^*

    SusMat 6, e70066 (2026) · IF 19.2, Q1, top 2.2% (JCR 2025)

    DOI: 10.1002/sus2.70066

  • Electric-Field-Driven Bilayer Interphase from Oxygenated Nanodiamond-Carbon Nanoparticles for Dendrite-Free Lithium Metal Batteries

    Jaeseong Kim^†, Incheol Heo^†, Dong-Kyung Kim^†, Min Seok Kang, Ji Hee Kwon, Byeong-Seon An, Keir C. Neuman, Byung-Hyun Kim^*, Hak-Sung Jung^*, and Won Cheol Yoo^*

    Advanced Energy Materials 16, e05964 (2026) · IF 25.5, Q1, top 2.4% (JCR 2025)

    DOI: 10.1002/aenm.202505964

  • Methane Diffusion Path in HKUST-1 Metal–Organic Framework Revealed by Atomistic Simulations

    Hyo-Sun Jang^†*, Eunyeong Cho^†, Gyuchan Kim, Hee Jung Lee, Jae-Hyung Cho, and Byung-Hyun Kim

    Scientific Reports 16, 16413 (2026) · IF 4.9, Q1, top 14.6% (JCR 2025)

    DOI: 10.1038/s41598-026-45125-9

  • Geometrically-Screened, Sterically-Hindered Additive for Wide-Temperature Aqueous Zinc-Ion Batteries

    Sida Zhang, Shengyang Huang, Weigen Chen^*, Zuyang Hu, Dong Hyun Min, Jun Su Kim, Hao Fu, Young Soo Yun, Won-Chul Cho, Byung-Hyun Kim, Baoyu Li^*, Chengchao Li, Jingyu Sun, and Ho Seok Park^*

    Advanced Functional Materials 36, e23753 (2026) · IF 19.9, Q1, top 4.2% (JCR 2025)

    DOI: 10.1002/adfm.202523753Cited by 11

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    Geometrically-Screened, Sterically-Hindered Additive for Wide-Temperature Aqueous Zinc-Ion Batteries

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  • 3D Channeled Porous Carbon Hosts with Cobalt Nanoparticle-Induced Zincophilicity for Stable Zinc Anodes

    Hyunsoo Lee^†, Donghyeon Nam^†, Chaehyeon Moon, Jinseok Park, Michael J. Lee, Keun Hee Kim, Hyeonsoo Han, Donghyeok Roh, Kyungmo Kim, Jaeyoung Choi, Seung Woo Lee, Byung-Hyun Kim^*, Young Jun Lee^*, and Bumjoon J. Kim^*

    Chemical Engineering Journal 529, 172613 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.172613Cited by 4

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    3D Channeled Porous Carbon Hosts with Cobalt Nanoparticle-Induced Zincophilicity for Stable Zinc Anodes

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  • Cobalt Ion Adsorption on Polyvinyl Acetal Brushes: Impact on Silica-Nanoparticle Loading During Metal Post-Chemical Mechanical Planarization Cleaning

    Maheepal Yadav, Sanjay Bisht, Byung-Hyun Kim, Hirokuni Hiyama, Tae-Gon Kim, and Jin-Goo Park^*

    ACS Applied Nano Materials 9, 237 (2026) · IF 5.8, Q2, top 31.2% (JCR 2025)

    DOI: 10.1021/acsanm.5c04532Cited by 5

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    Cobalt Ion Adsorption on Polyvinyl Acetal Brushes: Impact on Silica-Nanoparticle Loading During Metal Post-Chemical Mechanical Planarization Cleaning

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  • Roles of Alkaline-Earth Metals and Electron Density of Al³⁺ in Octanol Dehydration for Linear Alpha-Olefin Production

    Young-eun Kim^†, Jaekyum Kim^†, Unho Jung, Yongha Park, Min Hye Youn, Dong Hyun Chun, Byeong-Seon An, Jung Kyu Kim, Byung-Hyun Kim^*, Ki Bong Lee^*, and Kee Young Koo^*

    Journal of Materials Chemistry A 14, 403 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Back Cover

    DOI: 10.1039/D5TA06534HCited by 1

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    Roles of Alkaline-Earth Metals and Electron Density of Al³⁺ in Octanol Dehydration for Linear Alpha-Olefin Production

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  • Molecularly Dispersed Polyoxometalate Clusters via Polymeric Ionic Liquid for Flexible Zinc–Air Batteries

    Hongdae Lee, Yoonbin Kim, Won Il Kim, Gun Jang, Jung Woo Hong, Jun Su Kim, Chengang Pei, Jin Suk Byun, Sang Joon Lee, Sung Oh Moon, Young Soo Yun, Won-Chul Cho, Byung-Hyun Kim, and Ho Seok Park^*

    Chemical Engineering Journal 524, 169642 (2025) · IF 13.2, Q1, top 3.0% (JCR 2024)

    DOI: 10.1016/j.cej.2025.169642Cited by 4

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    Molecularly Dispersed Polyoxometalate Clusters via Polymeric Ionic Liquid for Flexible Zinc–Air Batteries

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  • Bottom-Up Synthesis of 2D AlN Nanosheets with Superior Hydrolytic Resistance and Thermal Conductivity

    Wonyeong Lee^†, Gyuchan Kim^†, Byung-Hyun Kim, Haekyun Park, Sung-Joon Park, Chang-Min Yoon^*, and Myeongjin Kim^*

    Small 21, e07445 (2025) · IF 12.1, Q1, top 7.2% (JCR 2024)

    DOI: 10.1002/smll.202507445Cited by 3

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    Bottom-Up Synthesis of 2D AlN Nanosheets with Superior Hydrolytic Resistance and Thermal Conductivity

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  • Exploring Materials Data through Collaboration: 2024 KRICT ChemDX Hackathon

    Su-Hyun Yoo^*, Andre K. Y. Low, Jose Recatala-Gomez, Harikrishna Sahu, Chiho Kim, Joonyoung F. Joung, Hoje Chun, Katerina A. Christofidou, Joshua Berry, Michail Minotakis, Kisung Kang, Kwangsoo Kim, Gaheun Shin, Hyunwoo Jang, Sanghyuk Lee, Minkyu Park, Byung-Hyun Kim, Kihyun Shin, Jungho Shin, Aloysius Soon, Joshua Schrier^*, and Woosun Jang^*

    Journal of Materials Informatics 5, 54 (2025) · IF 5.6, Q2, top 28.7% (JCR 2024)

    DOI: 10.20517/jmi.2025.65

  • Durable and Efficient Solar CO₂-to-CO Conversion Enabled by Single-Atom Ag on Zn₃(PO₄)₂ Cathode Coupled with a GaAs/Pt_SA@NiOOH Photoanode

    Maheswari Arunachalam, Kwangsoo Kim, Kug-Seung Lee, Byung-Hyun Kim^*, and Soon Hyung Kang^*

    Advanced Energy Materials 15, e02953 (2025) · IF 26.0, Q1, top 2.5% (JCR 2024)

    DOI: 10.1002/aenm.202502953Cited by 13

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    Durable and Efficient Solar CO₂-to-CO Conversion Enabled by Single-Atom Ag on Zn₃(PO₄)₂ Cathode Coupled with a GaAs/Pt_SA@NiOOH Photoanode

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  • Enhanced Oxygen Evolution Reaction on Upcycled LiCoO₂ via Structural Phase Transformation

    Greeshma Suresh^†, Woowon Chung^†, Min Soo Kim^†, Gyuchan Kim^†, M. Usman Ahmad, Jinha Shim, Byung-Hyun Kim^*, and Jin Ho Bang^*

    Advanced Sustainable Systems 9, e00733 (2025) · IF 6.1, Q2, top 27.0% (JCR 2024)

    DOI: 10.1002/adsu.202500733Cited by 3

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    Enhanced Oxygen Evolution Reaction on Upcycled LiCoO₂ via Structural Phase Transformation

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  • Heterointerface-Driven Electronic Modulation in MoO₂@N/Mo-ReS₂ Hybrid for Efficient Alkaline HER, OER, and Overall Water Splitting

    Manjinder Singh^†, Jaejun Park^†, Hayoung Kim^†, Gyuchan Kim, Dunchan Cha, Dasu Ram Paudel, Byung-Hyun Kim^*, and Seunghyun Lee^*

    Small 21, 2505906 (2025) · IF 12.1, Q1, top 7.2% (JCR 2024)

    DOI: 10.1002/smll.202505906Cited by 25

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    Heterointerface-Driven Electronic Modulation in MoO₂@N/Mo-ReS₂ Hybrid for Efficient Alkaline HER, OER, and Overall Water Splitting

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  • Rapid Flame Induced Dual-Metal Doping on WO₃ Electrode for Boosting Photo-Electrochemical Water Oxidation

    Seung Hun Roh^†, Jaekyum Kim^†, Won So, Yuankai Li, Won Tae Hong, Hyun Min Kwon, Sae Byeok Jo, Wooseok Yang, Byung-Keun Oh, Chan-Hwa Chung, Jongwook Park, Chisung Ahn^*, Byung-Hyun Kim^*, and Jung Kyu Kim^*

    Energy Materials 5, 500128 (2025) · IF 11.2, Q1, top 10.2% (JCR 2024)

    DOI: 10.20517/energymater.2025.59Cited by 4

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    Rapid Flame Induced Dual-Metal Doping on WO₃ Electrode for Boosting Photo-Electrochemical Water Oxidation

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  • Facet-Controlled Growth of Molybdenum Phosphide Single Crystals for Efficient Hydrogen Peroxide Synthesis

    Seo Hyun Kim^†, Jeong-Hyun Kim^†, Bogeun Park^†, Hanhwi Jang, Jeong-Gyu Lee, Soonmin Yim, Jae Won Jeong, Seyoung Koo, Yeon Sik Jung, Byung-Hyun Kim^*, Min-Jae Choi^*, and Hyeuk Jin Han^*

    Advanced Materials 37, 2500250 (2025) · IF 26.8, Q1, top 2.1% (JCR 2024) Inside Front Cover

    DOI: 10.1002/adma.202500250Cited by 11

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    Facet-Controlled Growth of Molybdenum Phosphide Single Crystals for Efficient Hydrogen Peroxide Synthesis

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  • Ligand Engineering of Co-N₄ Single-Atom Catalysts for Highly-Active and Stable Acidic Oxygen Evolution

    Taeyoung Jeong^†, Kiwon Kim^†, Byung-Hyun Kim, Sang-Il Choi, Chang Hyuck Choi^*, Joonhee Kang^*, and Myeongjin Kim^*

    Advanced Science 12, 2502230 (2025) · IF 14.1, Q1, top 7.0% (JCR 2024)

    DOI: 10.1002/advs.202502230Cited by 26

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    Ligand Engineering of Co-N₄ Single-Atom Catalysts for Highly-Active and Stable Acidic Oxygen Evolution

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  • Highly Selective Photoelectrochemical Glycerol Valorization toward Lactic Acid with Low-Valence Bimetallic Overlayer on CuWO₄

    Yuankai Li^†, Jaekyum Kim^†, Won Tae Hong, Jun Young Kim, Qian Lei, Hyungu Han, Unbeom Baeck, Dong Hyun Kim, Chang Hyuck Choi, Byung-Hyun Kim^*, Chan-Hwa Chung, and Jung Kyu Kim^*

    ACS Energy Letters 10, 2305 (2025) · IF 18.9, Q1, top 4.1% (JCR 2024) Cover

    DOI: 10.1021/acsenergylett.5c00551Cited by 11

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    Highly Selective Photoelectrochemical Glycerol Valorization toward Lactic Acid with Low-Valence Bimetallic Overlayer on CuWO₄

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  • Interaction Study of Copper Ions and Polyvinyl Acetal (PVA) Brush during Copper Post-CMP Cleaning: Experimental and Density Functional Theory Study

    Sanjay Bisht, Maheepal Yadav, Byung-Hyun Kim, Tae-Gon Kim^*, and Jin-Goo Park^*

    Applied Surface Science 695, 162858 (2025) · IF 6.9, Q1, top 10.4% (JCR 2024)

    DOI: 10.1016/j.apsusc.2025.162858Cited by 9

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    Cited by 9 works

    Interaction Study of Copper Ions and Polyvinyl Acetal (PVA) Brush during Copper Post-CMP Cleaning: Experimental and Density Functional Theory Study

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  • Enhanced Electrochemical Performance of Aqueous Zn-Ion Batteries Based on Na₂V₆O₁₆∙2H₂O Cathodes: Insights from DFT and Synchrotron X-ray Analysis

    Younghee So^†, Huncheol Seo^†, Seung Hwan Lee^†, Eunseo Lee, Jinyoung Lee, Joonhee Kang, Young Yong Kim^*, Byung-Hyun Kim^*, and Sungwook Mhin^*

    Journal of Materials Chemistry A 13, 8761 (2025) · IF 9.5, Q1, top 13.6% (JCR 2024)

    DOI: 10.1039/D4TA08338ECited by 12

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    Enhanced Electrochemical Performance of Aqueous Zn-Ion Batteries Based on Na₂V₆O₁₆∙2H₂O Cathodes: Insights from DFT and Synchrotron X-ray Analysis

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  • Breakthrough Scalable Synthesis of Anti-coking Cs-Ni/CeO_x-Al₂O₃ Nanocatalysts for Optimal Dry Reforming Performance

    Kyung Hee Oh, Shin Wook Kang, Jin Gyu Lee, Jung-Il Yang, Byung-Hyun Kim, Chang Seop Hong^*, and Ji Chan Park^*

    Nano Research 18, 94907116 (2025) · IF 9.0, Q1, top 13.1% (JCR 2024)

    DOI: 10.26599/NR.2025.94907116Cited by 1

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    Breakthrough Scalable Synthesis of Anti-coking Cs-Ni/CeO_x-Al₂O₃ Nanocatalysts for Optimal Dry Reforming Performance

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  • Optimizing KOH/cPVC Ratio for Improved CH₄ and CO₂ Adsorption Capacities of Porous Carbon Adsorbents

    Phuong Uyen Do, Kwangsoo Kim, Byung-Hyun Kim, and Chan Hyun Lee^*

    Chemistry of Materials 37, 1047 (2025) · IF 7.0, Q1, top 22.0% (JCR 2024)

    DOI: 10.1021/acs.chemmater.4c02733Cited by 7

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    Optimizing KOH/cPVC Ratio for Improved CH₄ and CO₂ Adsorption Capacities of Porous Carbon Adsorbents

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  • Synergistic Configuration of Binary Rhodium Single Atoms in Carbon Nanofibers for High-Performance Alkaline Water Electrolyzer

    Natarajan Logeshwaran^†, Gyuchan Kim^†, Pandiarajan Thangavel^†, Sun Seo Jeon, Kaliannan Thiyagarajan, Kampara Roopa Kishore, Hyunjoo Lee, Inseok Seo, Hongseok Yun, Sungho Lee^*, Byung-Hyun Kim^*, and Young Jun Lee^*

    Advanced Science 12, 2413176 (2025) · IF 14.1, Q1, top 7.0% (JCR 2024)

    DOI: 10.1002/advs.202413176Cited by 9

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    Synergistic Configuration of Binary Rhodium Single Atoms in Carbon Nanofibers for High-Performance Alkaline Water Electrolyzer

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  • Activating the Mn Single Atomic Center for an Efficient Actual Active Site of the Oxygen Reduction Reaction by Spin-State Regulation

    Kiwon Kim^†, Gyuchan Kim^†, Taeyoung Jeong, Wonyoung Lee, Yunho Yang, Byung-Hyun Kim, Bubryur Kim, Byeongyong Lee, Joonhee Kang^*, and Myeongjin Kim^*

    Journal of the American Chemical Society 146, 34033 (2024) · IF 14.5, Q1, top 7.6% (JCR 2023)

    DOI: 10.1021/jacs.4c13137Cited by 137

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    Activating the Mn Single Atomic Center for an Efficient Actual Active Site of the Oxygen Reduction Reaction by Spin-State Regulation

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  • Time-Efficient Atmospheric Water Harvesting using Fluorophenyl Oligomer Incorporated MOFs

    Min Seok Kang^†, Incheol Heo^†, Sun Ho Park^†, Jinhee Bae, Sangyeop Kim, Gyuchan Kim, Byung-Hyun Kim, Nak Cheon Jeong^*, and Won Cheol Yoo^*

    Nature Communications 15, 9793 (2024) · IF 14.7, Q1, top 5.6% (JCR 2023)

    DOI: 10.1038/s41467-024-53853-7Cited by 37

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    Time-Efficient Atmospheric Water Harvesting using Fluorophenyl Oligomer Incorporated MOFs

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  • Sampling Rare Events using Nanostructures for Universal Pt Neural Network Potential

    Joonhee Kang^*, Byung-Hyun Kim, Min Ho Seo, and Jehyun Lee

    Current Applied Physics 66, 110 (2024) · IF 2.4, Q3, top 53.4% (JCR 2023)

    DOI: 10.1016/j.cap.2024.07.005Cited by 6

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    Sampling Rare Events using Nanostructures for Universal Pt Neural Network Potential

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  • Highly Reliable and Large-Scale Simulations of Promising Argyrodite Solid-State Electrolytes Using a Machine-Learned Moment Tensor Potential

    Ji Hoon Kim, Byeongsun Jun, Yong Jun Jang, Sun Ho Choi, Seong Hyeon Choi, Sung Man Cho, Yong-Gu Kim, Byung-Hyun Kim, and Sang Uck Lee^*

    Nano Energy 124, 109436 (2024) · IF 16.8, Q1, top 5.3% (JCR 2023)

    DOI: 10.1016/j.nanoen.2024.109436Cited by 31

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    Highly Reliable and Large-Scale Simulations of Promising Argyrodite Solid-State Electrolytes Using a Machine-Learned Moment Tensor Potential

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  • Coordination Engineering of N, O Co-Doped Cu Single Atom on Porous Carbon for High Performance Zinc Metal Anodes

    Kyungbin Lee^†, Eun Ji Kim^†, Jaekyum Kim, Keun Hee Kim, Young Jun Lee, Michael J. Lee, Kun Ryu, Sangyong Shin, Jaeyoung Choi, Seung Ho Kwon, Hyunjoo Lee, Jung Kyu Kim, Byung-Hyun Kim^*, Bumjoon J. Kim^*, and Seung Woo Lee^*

    Advanced Energy Materials 14, 2303803 (2024) · IF 24.4, Q1, top 2.6% (JCR 2023)

    DOI: 10.1002/aenm.202303803Cited by 48

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    Coordination Engineering of N, O Co-Doped Cu Single Atom on Porous Carbon for High Performance Zinc Metal Anodes

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  • Novel Solid-State Synthesis of Surfactant- and Solvent-free Pd Tetrahedron Nanocatalysts

    Kyung Hee Oh, Kwangsoo Kim, Jin Gyu Lee, Nahyun Park, Hack-Keun Lee, Shin Wook Kang, Jung-Il Yang, Byeong-Seon An, Kang Hyun Park, Chang Seop Hong^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Journal of Materials Chemistry A 12, 1233 (2024) · IF 10.8, Q1, top 9.1% (JCR 2023)

    DOI: 10.1039/d3ta06056jCited by 7

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    Novel Solid-State Synthesis of Surfactant- and Solvent-free Pd Tetrahedron Nanocatalysts

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  • Highly Efficient Water-splitting Electrodes with Stable Operation at 3 A cm^-2 in Alkaline Media through Molecular Linker Assembly-induced All-in-one Structured NiMo and NiFe Electrocatalysts

    Youhyun Son, Jeongmin Mo, Euiju Yong, Jeongyeon Ahn, Gyuchan Kim, Wonyoung Lee, Cheong Hoon Kwon, Hyun Ju, Seung Woo Lee, Byung-Hyun Kim^*, Myeongjin Kim^*, and Jinhan Cho^*

    Applied Catalysis B: Environmental 343, 123563 (2024) · IF 20.3, Q1, top 0.6% (JCR 2023)

    DOI: 10.1016/j.apcatb.2023.123563Cited by 40

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    Highly Efficient Water-splitting Electrodes with Stable Operation at 3 A cm^-2 in Alkaline Media through Molecular Linker Assembly-induced All-in-one Structured NiMo and NiFe Electrocatalysts

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  • Unexpected Penetration of CO Molecule into Zeolitic Micropores Almost Plugged by CuCl via π-Complexation of CO-CuCl

    Chan Hyun Lee^†*, Kwangsoo Kim^†, Jisoo Kim, Kanghee Cho, Sang-Sup Han, Hyun Wook Kim, Ki Bong Lee, Byung-Hyun Kim, Jong Hyeok Park, Kyoungsoo Kim, and Jong-Ho Park^*

    ACS Applied Materials & Interfaces 15, 27411 (2023) · IF 9.5, Q1, top 15.8% (JCR 2022)

    DOI: 10.1021/acsami.3c04849Cited by 8

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    Unexpected Penetration of CO Molecule into Zeolitic Micropores Almost Plugged by CuCl via π-Complexation of CO-CuCl

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  • An Electrochemically Active Textile Current Collector with a High Areal Capacity and a Strong Energy Recovery Effect Using an Interfacial Interaction Assembly

    Euiju Yong^†, Donghyeon Nam^†, Yangsoo Kim, Kwangsoo Kim, Byung-Hyun Kim^*, Yongmin Ko^*, and Jinhan Cho^*

    Energy Storage Materials 60, 102813 (2023) · IF 20.4, Q1, top 4.2% (JCR 2022)

    DOI: 10.1016/j.ensm.2023.102813Cited by 8

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    An Electrochemically Active Textile Current Collector with a High Areal Capacity and a Strong Energy Recovery Effect Using an Interfacial Interaction Assembly

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  • Structure-Controlled Carbon Hosts for Dendrite-Free Aqueous Zinc Batteries

    Kyungbin Lee^†, Young Jun Lee^†, Michael J. Lee, Junghun Han, Kun Ryu, Jeong An Kwon, Eun Ji Kim, Hyewon Kang, Byung-Hyun Kim^*, Bumjoon J. Kim^*, and Seung Woo Lee^*

    Small 19, 2302334 (2023) · IF 13.3, Q1, top 6.6% (JCR 2022)

    DOI: 10.1002/smll.202302334Cited by 27

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    Structure-Controlled Carbon Hosts for Dendrite-Free Aqueous Zinc Batteries

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  • Rational Design of a Stable Fe-rich Ni-Fe Layered Double Hydroxide for the Industrially Relevant Dynamic Operation of Alkaline Water Electrolyzers

    Muhammad Mehdi, Byeong-Seon An, Haesol Kim, Sechan Lee, Changsoo Lee, Myeongmin Seo, Min Wook Noh, Won-Chul Cho, Chang-Hee Kim, Chang Hyuck Choi, Byung-Hyun Kim^*, MinJoong Kim^*, and Hyun-Seok Cho^*

    Advanced Energy Materials 13, 2204403 (2023) · IF 27.8, Q1, top 2.5% (JCR 2022) Inside Front Cover

    DOI: 10.1002/aenm.202204403Cited by 81

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    Rational Design of a Stable Fe-rich Ni-Fe Layered Double Hydroxide for the Industrially Relevant Dynamic Operation of Alkaline Water Electrolyzers

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  • Electrochemical Partial Reduction of Ni(OH)₂ to Ni(OH)₂/Ni via Coupled Oxidation of an Interfacing NiAl Intermetallic Compound for Robust Hydrogen Evolution

    Young Hwa Yun^†, Kwangsoo Kim^†, Changsoo Lee^†, Byeong-Seon An, Ji Hee Kwon, Sechan Lee, MinJoong Kim, Jongsu Seo, Jong Hyeok Park^*, Byung-Hyun Kim^*, and Hyun-Seok Cho^*

    Journal of Energy Chemistry 82, 560 (2023) · IF 13.1, Q1, top 2.1% (JCR 2022)

    DOI: 10.1016/j.jechem.2023.03.023Cited by 44

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    Electrochemical Partial Reduction of Ni(OH)₂ to Ni(OH)₂/Ni via Coupled Oxidation of an Interfacing NiAl Intermetallic Compound for Robust Hydrogen Evolution

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  • Colossal Dielectric Perovskites of Calcium Copper Titanate(CaCu₃Ti₄O₁₂) with Low-Iridium Dopants Enables Ultrahigh Mass Activity for the Acidic Oxygen Evolution Reaction

    Nguyen Thi Thu Thao^†, Kwangsoo Kim^†, Jeong Ho Ryu^†, Byeong-Seon An, Arpan Kumar Nayak, Jin Uk Jang, Kyeong-Han Na, Won-Youl Choi, Ghulam Ali, Keun Hwa Chae, Muhammad Akbar, Kyung Yoon Chung, Hyun-Seok Cho, Jong Hyeok Park, Byung-Hyun Kim^*, and HyukSu Han^*

    Advanced Science 10, 2207695 (2023) · IF 15.1, Q1, top 6.8% (JCR 2022) Inside Front Cover

    DOI: 10.1002/advs.202207695Cited by 36

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    Colossal Dielectric Perovskites of Calcium Copper Titanate(CaCu₃Ti₄O₁₂) with Low-Iridium Dopants Enables Ultrahigh Mass Activity for the Acidic Oxygen Evolution Reaction

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  • Crucial Role of Alkali Metal Ions and Si/Al ratio in Selective Adsorption of 1-Octene using Faujasite Zeolites

    Hui Seon Park^†, Dong-Woo Cho^†, Kwangsoo Kim, Byung-Hyun Kim, Jongkee Park, Chung-Yul Yoo^*, and Taesung Jung^*

    Separation and Purification Technology 314, 123531 (2023) · IF 8.6, Q1, top 8.1% (JCR 2022)

    DOI: 10.1016/j.seppur.2023.123531Cited by 8

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    Crucial Role of Alkali Metal Ions and Si/Al ratio in Selective Adsorption of 1-Octene using Faujasite Zeolites

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  • A New Automated Synthesis of a Coke-resistant Cs-promoted Ni-supported Nanocatalyst for Sustainable Dry Reforming of Methane

    Kyung Hee Oh, Jin Hee Lee, Kwangsoo Kim, Hack-Keun Lee, Shin Wook Kang, Jung-Il Yang, Jong-Ho Park, Chang Seop Hong^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Journal of Materials Chemistry A 11, 1666 (2023) · IF 11.9, Q1, top 8.8% (JCR 2022) Inside Front Cover

    DOI: 10.1039/D2TA08442BCited by 8

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    A New Automated Synthesis of a Coke-resistant Cs-promoted Ni-supported Nanocatalyst for Sustainable Dry Reforming of Methane

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  • Structure-Controlled Graphene Electrocatalysts for High-Performance H₂O₂ Production

    Kyungbin Lee^†, Jeonghoon Lim^†, Michael J. Lee, Kun Ryu, Hoyoung Lee, Jin Young Kim, Hyunchul Ju, Hyun-Seok Cho, Byung-Hyun Kim, Marta C. Hatzell^*, Joonhee Kang^*, and Seung Woo Lee^*

    Energy & Environmental Science 15, 2858 (2022) · IF 39.7, Q1, top 0.2% (JCR 2021) Inside Front Cover

    DOI: 10.1039/D2EE00548DCited by 170

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    Structure-Controlled Graphene Electrocatalysts for High-Performance H₂O₂ Production

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  • A 3D Hierarchical Host with Enhanced Sodiophilicity Enabling Anode-Free Sodium-Metal Batteries

    Kyungbin Lee^†, Young Jun Lee^†, Michael J. Lee, Junghun Han, Jeonghoon Lim, Kun Ryu, Hana Yoon, Byung-Hyun Kim^*, Bumjoon J. Kim^*, and Seung Woo Lee^*

    Advanced Materials 34, 2109767 (2022) · IF 32.1, Q1, top 2.1% (JCR 2021) Back Cover

    DOI: 10.1002/adma.202109767Cited by 237

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    A 3D Hierarchical Host with Enhanced Sodiophilicity Enabling Anode-Free Sodium-Metal Batteries

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  • Role of Surface Steps in Activation of Surface Oxygen Sites on Ir Nanocrystals for Oxygen Evolution Reaction in Acidic Media

    Myeongjin Kim^†, Jinho Park^†, Maoyu Wang, Qingxiao Wang, Moon J. Kim, Jin Young Kim, Hyun-Seok Cho, Chang-Hee Kim, Zhenxing Feng, Byung-Hyun Kim^*, and Seung Woo Lee^*

    Applied Catalysis B: Environmental 302, 120834 (2022) · IF 24.3, Q1, top 0.9% (JCR 2021)

    DOI: 10.1016/j.apcatb.2021.120834Cited by 69

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    Role of Surface Steps in Activation of Surface Oxygen Sites on Ir Nanocrystals for Oxygen Evolution Reaction in Acidic Media

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  • First-Principles Based Machine-Learning Molecular Dynamics for Crystalline Polymers with van der Waals Interactions

    Sung Jun Hong^†, Hoje Chun^†, Jehyun Lee, Byung-Hyun Kim, Min Ho Seo, Joonhee Kang^*, and Byungchan Han^*

    Journal of Physical Chemistry Letters 12, 6000 (2021) · IF 6.5, Q1, top 6.8% (JCR 2020)

    DOI: 10.1021/acs.jpclett.1c01140Cited by 35

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    First-Principles Based Machine-Learning Molecular Dynamics for Crystalline Polymers with van der Waals Interactions

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  • Unravelling the K-Promotion Effect in Highly Active and Stable Fe₅C₂ Nanoparticles for Catalytic Linear α-Olefin Production

    Jin Hee Lee^†, Hack-Keun Lee^†, Kwangsoo Kim, Geun Bae Rhim, Min Hye Youn, Heondo Jeong, Jong Hyeok Park, Dong Hyun Chun^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Materials Advances 2, 1050 (2021)

    DOI: 10.1039/D0MA00920BCited by 8

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    Unravelling the K-Promotion Effect in Highly Active and Stable Fe₅C₂ Nanoparticles for Catalytic Linear α-Olefin Production

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  • Understanding Synergistic Metal-Oxide Interactions of in situ Exsolved Metal Nanoparticles on a Pyrochlore Oxide Support for Enhanced Water Splitting

    Myeongjin Kim^*, Jinho Park, Hyun Ju, Jin Young Kim, Hyun-Seok Cho, Chang-Hee Kim, Byung-Hyun Kim^*, and Seung Woo Lee^*

    Energy & Environmental Science 14, 3053 (2021) · IF 38.5, Q1, top 0.2% (JCR 2020) Front Cover

    DOI: 10.1039/D0EE02935ACited by 70

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    Understanding Synergistic Metal-Oxide Interactions of in situ Exsolved Metal Nanoparticles on a Pyrochlore Oxide Support for Enhanced Water Splitting

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  • Sorption-Enhanced Thin Film Composites with Metal-Organic Polyhedral Nanocages for CO₂ Separation

    Muhammad Sohail^†, Heseong An^†, Wanuk Choi, Jatinder Singh, Kanghoon Yim, Byung-Hyun Kim, Young Cheol Park, Jong Suk Lee^*, and Hyunuk Kim^*

    Journal of Membrane Science 620, 118826 (2021) · IF 8.7, Q1, top 3.9% (JCR 2020)

    DOI: 10.1016/j.memsci.2020.118826Cited by 21

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    Sorption-Enhanced Thin Film Composites with Metal-Organic Polyhedral Nanocages for CO₂ Separation

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  • Ion Irradiation Induced Surface Composition Modulation in Equiatomic Binary Alloys

    Byung-Hyun Kim^*, Sang-Pil Kim, Joonhee Kang, Yong-Chae Chung, Kyung-Suk Kim, and Kwang-Ryeol Lee^*

    Applied Surface Science 540, 148103 (2021) · IF 6.7, Q1, top 2.4% (JCR 2020)

    DOI: 10.1016/j.apsusc.2020.148103Cited by 3

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    Ion Irradiation Induced Surface Composition Modulation in Equiatomic Binary Alloys

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  • Facile Synthesis of a High Performance NiPd@CMK-3 Nanocatalyst for Mild Suzuki-Miyaura Coupling Reactions

    Ji Chan Park^†, Aram Kim^†, Sanha Jang, Jung-Il Yang, Shin Wook Kang, Chan-Woo Lee, Byung-Hyun Kim^*, and Kang Hyun Park^*

    ChemCatChem 11, 991 (2019) · IF 4.5, Q2, top 28.7% (JCR 2018)

    DOI: 10.1002/cctc.201801872Cited by 11

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    Facile Synthesis of a High Performance NiPd@CMK-3 Nanocatalyst for Mild Suzuki-Miyaura Coupling Reactions

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  • Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

    Byung-Hyun Kim, Jolla Kullgren^*, Matthew J. Wolf, Kersti Hermansson^*, and Peter Broqvist^*

    Frontiers in Chemistry 7, 203 (2019) · IF 3.8, Q2, top 31.1% (JCR 2018)

    DOI: 10.3389/fchem.2019.00203Cited by 15

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    Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

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  • Indirect-to-Direct Band Gap Transition of Si Nanosheets: Effect of Biaxial Strain

    Byung-Hyun Kim^†, Mina Park^†, Gyubong Kim, Kersti Hermansson, Peter Broqvist, Heon-Jin Choi, and Kwang-Ryeol Lee^*

    Journal of Physical Chemistry C 122, 15297 (2018) · IF 4.5, Q1, top 18.8% (JCR 2017)

    DOI: 10.1021/acs.jpcc.8b02239Cited by 13

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    Indirect-to-Direct Band Gap Transition of Si Nanosheets: Effect of Biaxial Strain

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  • Functionalization Effect on a Pt/carbon Nanotube Composite Catalyst: A first-principles Study

    Byung-Hyun Kim, Kwang-Ryeol Lee, Yong-Chae Chung, and Mina Park^*

    Physical Chemistry Chemical Physics 18, 22687 (2016) · IF 4.4, Q1, top 15.7% (JCR 2015)

    DOI: 10.1039/C5CP07737KCited by 14

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    Functionalization Effect on a Pt/carbon Nanotube Composite Catalyst: A first-principles Study

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  • Reactive Molecular Dynamic Simulations of Early Stage of Wet Oxidation of Si (001) Surface

    Mauludi Ariesto Pamungkas, Byung-Hyun Kim, and Kwang-Ryeol Lee^*

    Journal of Applied Physics 114, 073506 (2013) · IF 2.2, Q1, top 24.6% (JCR 2012)

    DOI: 10.1063/1.4818941Cited by 12

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    Reactive Molecular Dynamic Simulations of Early Stage of Wet Oxidation of Si (001) Surface

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  • A Molecular Dynamics Simulation Study on the Initial Stage of Si(001) Oxidation under Biaxial Strain

    Haining Cao, Mauludi Ariesto Pamungkas, Byung-Hyun Kim, and Kwang-Ryeol Lee^*

    Journal of Nanoscience and Nanotechnology 13, 1074 (2013)

    DOI: 10.1166/jnn.2013.6120Cited by 6

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    A Molecular Dynamics Simulation Study on the Initial Stage of Si(001) Oxidation under Biaxial Strain

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  • Effects of Suboxide Layers on the Electronic Properties of Si(100)/SiO₂ Interfaces: Atomistic Multi-scale Approach

    Byung-Hyun Kim, Gyubong Kim^*, Kihoon Park, Mincheol Shin^*, Yong-Chae Chung, and Kwang-Ryeol Lee

    Journal of Applied Physics 113, 073705 (2013) · IF 2.2, Q1, top 24.6% (JCR 2012)

    DOI: 10.1063/1.4791706Cited by 16

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    Effects of Suboxide Layers on the Electronic Properties of Si(100)/SiO₂ Interfaces: Atomistic Multi-scale Approach

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  • Effects of Interfacial Bonding in the Si-Carbon Nanotube Nanocomposite: A Molecular Dynamics Approach

    Byung-Hyun Kim^*, Kwang-Ryeol Lee, Yong-Chae Chung, and June Gunn Lee

    Journal of Applied Physics 112, 044312 (2012) · IF 2.2, Q2, top 29.2% (JCR 2011)

    DOI: 10.1063/1.4748133Cited by 12

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    Effects of Interfacial Bonding in the Si-Carbon Nanotube Nanocomposite: A Molecular Dynamics Approach

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  • Interfacial Reaction-Dominated Full Oxidation of 5 nm Diameter Silicon Nanowires

    Ilsoo Kim, Tae-Eon Park, Ki-Young Lee, Ryong Ha, Byung-Hyun Kim, Yong-Chae Chung, Kwang-Ryeol Lee, and Heon-Jin Choi^*

    Journal of Applied Physics 112, 094308 (2012) · IF 2.2, Q2, top 29.2% (JCR 2011)

    DOI: 10.1063/1.4764004Cited by 7

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    Interfacial Reaction-Dominated Full Oxidation of 5 nm Diameter Silicon Nanowires

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  • Atomic-Scale Simulations of Early Stage of Oxidation of Vicinal Si(001) Surfaces Using a Reactive Force-Field Potentials

    Kyung-Han Yun, Yubin Hwang, Heechae Choi, Eung-Kwan Lee, Geunsup Yoon, Byung-Hyun Kim, and Yong-Chae Chung^*

    Japanese Journal of Applied Physics 50, 10PF01 (2011) · IF 1.0, Q3, top 64.0% (JCR 2010)

    DOI: 10.1143/JJAP.50.10PF01Cited by 1

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    Atomic-Scale Simulations of Early Stage of Oxidation of Vicinal Si(001) Surfaces Using a Reactive Force-Field Potentials

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  • Stress Evolution during the Oxidation of Silicon Nanowires in the Sub-10 nm Diameter Regime

    Byung-Hyun Kim, Mauludi Ariesto Pamungkas, Mina Park, Gyubong Kim, Kwang-Ryeol Lee^*, and Yong-Chae Chung

    Applied Physics Letters 99, 143115 (2011) · IF 3.8, Q1, top 12.3% (JCR 2010)

    DOI: 10.1063/1.3643038Cited by 38

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    Stress Evolution during the Oxidation of Silicon Nanowires in the Sub-10 nm Diameter Regime

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  • Reactive Molecular Dynamics Simulation of Early Stage of Dry Oxidation of Si(100) Surface

    Mauludi Ariesto Pamungkas, Minwoong Joe, Byung-Hyun Kim, and Kwang-Ryeol Lee^*

    Journal of Applied Physics 110, 053513 (2011) · IF 2.1, Q2, top 28.4% (JCR 2010)

    DOI: 10.1063/1.3632968Cited by 32

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    Reactive Molecular Dynamics Simulation of Early Stage of Dry Oxidation of Si(100) Surface

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  • Improved Binding between Copper and Carbon Nanotubes in a Composite using Oxygen-containing Functional Groups

    Mina Park, Byung-Hyun Kim, Sanghak Kim, Do-Suck Han, Gunn Kim, and Kwang-Ryeol Lee^*

    Carbon 49, 811 (2011) · IF 4.9, Q1, top 8.2% (JCR 2010)

    DOI: 10.1016/j.carbon.2010.10.019Cited by 163

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    Improved Binding between Copper and Carbon Nanotubes in a Composite using Oxygen-containing Functional Groups

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  • Anisotropic Rearrangement of the Substrate Atoms during Ar Bombardment on Pd(001) Surface

    Sang-Pil Kim, Byung-Hyun Kim, Haeri Kim, Kwang-Ryeol Lee^*, Yong-Chae Chung, Jikeun Seo, and Jae-Sung Kim

    Nuclear Instruments and Methods in Physics Research B 269, 2605 (2011) · IF 1.0, Q2, top 35.7% (JCR 2010)

    DOI: 10.1016/j.nimb.2011.07.093Cited by 3

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    Anisotropic Rearrangement of the Substrate Atoms during Ar Bombardment on Pd(001) Surface

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  • Atomic-Scale Investigation of the Ti/Al(001) Interface: A Molecular Dynamics Simulation

    Geunsup Yoon, Soon-Gun Lee, Byung-Hyun Kim, and Yong-Chae Chung^*

    Japanese Journal of Applied Physics 49, 06GJ14 (2010) · IF 1.1, Q3, top 52.3% (JCR 2009)

    DOI: 10.1143/JJAP.49.06GJ14Cited by 4

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    Atomic-Scale Investigation of the Ti/Al(001) Interface: A Molecular Dynamics Simulation

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  • Molecular Dynamics Simulation of the Thin Film Deposition of Co/Cu(111) with Pb Surfactant

    Byung-Hyun Kim and Yong-Chae Chung^*

    Journal of Applied Physics 106, 044304 (2009) · IF 2.2, Q1, top 20.5% (JCR 2008)

    DOI: 10.1063/1.3194309Cited by 10

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    Molecular Dynamics Simulation of the Thin Film Deposition of Co/Cu(111) with Pb Surfactant

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  • Atomic-Level Investigation for Surface Characteristics in a Co-Cu Multilayer System: Molecular Dynamics Simulation

    Byung-Hyun Kim and Yong-Chae Chung^*

    IEEE Transactions on Magnetics 44, 2903 (2008) · IF 1.0, Q2, top 39.4% (JCR 2007)

    DOI: 10.1109/TMAG.2008.2001520Cited by 4

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    Cited by 4 works

    Atomic-Level Investigation for Surface Characteristics in a Co-Cu Multilayer System: Molecular Dynamics Simulation

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  ×

  

  Byung-Hyun Kim (김병현)

  Professor

  Department of Energy and Bio Sciences, Hanyang University ERICA
  Department of Applied Chemistry, Hanyang University
  

  Office

  #435, Science and Technology Building 1

  Tel

  +82-31-400-5495

  E-mail

  bhkim00 at hanyang.ac.kr

  • Google Scholar
  • ORCID 0000-0003-2493-5452
  • Scopus
  • Web of Science HGB-5885-2022
  • Download CV (PDF)

  Professional experience.

  1. Sep. 2026 – present

     Professor

     Department of Energy and Bio Sciences/Department of Applied Chemistry, Hanyang University ERICA

  2. Jul. 2026 – Feb. 2027

     Visiting Scholar (Host: Prof. Yusuke Yamauchi)

     Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Australia

  3. Sep. 2023 – Aug. 2026

     Associate Professor

     Department of Energy and Bio Sciences/Department of Applied Chemistry, Hanyang University ERICA

  4. Jul. 2017 – Aug. 2023

     Senior/Principal Research Scientist

     Computational Science & Engineering Laboratory, Korea Institute of Energy Research

  5. Jan. 2022 – Jul. 2023

     Chief of Computational Science & Engineering Laboratory

     Computational Science & Engineering Laboratory, Korea Institute of Energy Research

  6. Feb. 2016 – Jun. 2017

     Postdoctoral Researcher (PI: Prof. Kersti Hermansson)

     Department of Chemistry–Ångström Laboratory, Uppsala University, Sweden

  7. Mar. 2013 – Jan. 2016

     Senior Engineer

     CAE Team, Semiconductor R&D Center, Samsung Electronics Co., Ltd.

  8. Feb. 2008 – Feb. 2013

     Research Assistant (PI: Dr. Kwang-Ryeol Lee)

     Computational Science Research Center, Korea Institute of Science & Technology

  Education.

  1. Feb. 2013

     Ph.D. (PI: Prof. Yong-Chae Chung, Dr. Kwang-Ryeol Lee)

     Department of Materials Science & Engineering, Hanyang University

     Computational Science Research Center, Korea Institute of Science & Technology

     Dissertation: Multiscale Simulation Study of Interfacial Properties on Low Dimensional Materials: CNTs and SiNWs

  2. Feb. 2009

     M.S. (PI: Prof. Yong-Chae Chung)

     Department of Materials Science & Engineering, Hanyang University

     Thesis: Atomic-level Investigation of Deposition Behavior and Surface Characteristic of Co-Cu Multilayer System: Molecular Dynamics

  3. Feb. 2007

     B.S.

     Department of Ceramic Engineering, Hanyang University

  Professional service.

  Conference committees

  1. 2026

     Symposium Organizer

     MMM12, Symposium 6 “Functional Materials Modeling for Energy”

  2. 2026

     Symposium Committee

     GCIM 2026, Symposium XV Computational Materials Science

  3. 2023, 2026

     Technical Program Committee

     NANO KOREA (TS12 2023, TS13 2026)

  4. 2024, 2025

     Symposium Organizer

     GCIM 2024 and 2025, Computational Materials Science

  5. 2026

     총무간사

     대한금속·재료학회 전산재료과학분과

  6. 2023, 2025, 2026

     조직위원

     대한금속·재료학회 전산재료과학분과 동계 심포지엄

  7. 2025

     조직위원

     대한금속·재료학회 전산재료과학분과 여름학교 (CMSS DFT 2025)

  8. 2016, 2017

     Local Organizing Team (TEOROO group)

     eSSENCE Meetings on Multiscale Modelling of Materials and Molecules, Uppsala

  9. 2011

     Local Organizing Committee

     ACCMS-WGM3 (Asian Consortium on Computational Materials Science)

  Journal peer review

  62 verified reviews for 26 journals (ORCID)

  • Chemical Communications
  • International Journal of Hydrogen Energy
  • Applied Catalysis B: Environment and Energy
  • Electronic Materials Letters
  • ACS Nano
  • Chemical Science
  • Journal of Industrial and Engineering Chemistry
  • ACS Materials Letters
  • Carbon
  • Electrochimica Acta
  • International Journal of Quantum Chemistry
  • Journal of Power Sources
  • Materials Chemistry Frontiers
  • Materials Today Communications
  • Small
  • ACS Sustainable Chemistry & Engineering
  • Advanced Materials
  • Angewandte Chemie International Edition
  • International Journal of Pressure Vessels and Piping
  • Ionics
  • Joule
  • Journal of Colloid and Interface Science
  • Journal of the American Chemical Society
  • Journal of the Korean Ceramic Society
  • Nano-Micro Letters
  • Nature Communications
• 

  Gyuchan Kim (김규찬)

  Ph.D. Candidate (박사 6기)

  • HER
  • Free-energy diagrams
  • Single-atom catalysts

  zgckim at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • M.S., Feb. 2023, Department of Hydrogen & Renewable Energy, Kyungpook National University
  • B.S., Feb. 2021, School of Energy Engineering, Kyungpook National University
  ×

  10 publications · 257 citations (OpenAlex) · 10 presentations

  Gyuchan Kim (김규찬)

  Ph.D. Candidate

  • HER
  • Free-energy diagrams
  • Single-atom catalysts
  • Oxides & nitrides
  • TM hydroxides, phosphides & sulfides
  • Porous frameworks
  • OER
  • Electronic descriptors
  • Adsorption & separation
  • Reaction barriers

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Diverting the Use of Reduced TiO₂ from a Carrier of Electron–Hole Pairs to a Reservoir of Brönsted–Lewis Acidic Pairs for Sustainable, Non-Optical H₂O₂ Homolysis

    Minsung Kim^†, Gyuchan Kim^†, Junseo Kim, Sang Hoon Kim^*, Byung-Hyun Kim^*, and Jongsik Kim^*

    Journal of Materials Chemistry A 14, 28907 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Inside Front Cover

    DOI: 10.1039/D6TA01339BCited by 1

    ×

    Cited by 1 works

    Diverting the Use of Reduced TiO₂ from a Carrier of Electron–Hole Pairs to a Reservoir of Brönsted–Lewis Acidic Pairs for Sustainable, Non-Optical H₂O₂ Homolysis

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  • Breaking the Water Dissociation–Hydrogen Adsorption Trade-off through W Single-Atom Engineering for Alkaline Hydrogen Evolution

    Taeyoung Jeong^†, Gyuchan Kim^†, Byung-Hyun Kim^*, and Myeongjin Kim^*

    Applied Catalysis B: Environment and Energy 399, 127056 (2026) · IF 19.7, Q1, top 1.7% (JCR 2025)

    DOI: 10.1016/j.apcatb.2026.127056Cited by 2

    ×

    Cited by 2 works

    Breaking the Water Dissociation–Hydrogen Adsorption Trade-off through W Single-Atom Engineering for Alkaline Hydrogen Evolution

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  • Methane Diffusion Path in HKUST-1 Metal–Organic Framework Revealed by Atomistic Simulations

    Hyo-Sun Jang^†*, Eunyeong Cho^†, Gyuchan Kim, Hee Jung Lee, Jae-Hyung Cho, and Byung-Hyun Kim

    Scientific Reports 16, 16413 (2026) · IF 4.9, Q1, top 14.6% (JCR 2025)

    DOI: 10.1038/s41598-026-45125-9

  • Bottom-Up Synthesis of 2D AlN Nanosheets with Superior Hydrolytic Resistance and Thermal Conductivity

    Wonyeong Lee^†, Gyuchan Kim^†, Byung-Hyun Kim, Haekyun Park, Sung-Joon Park, Chang-Min Yoon^*, and Myeongjin Kim^*

    Small 21, e07445 (2025) · IF 12.1, Q1, top 7.2% (JCR 2024)

    DOI: 10.1002/smll.202507445Cited by 3

    ×

    Cited by 3 works

    Bottom-Up Synthesis of 2D AlN Nanosheets with Superior Hydrolytic Resistance and Thermal Conductivity

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  • Enhanced Oxygen Evolution Reaction on Upcycled LiCoO₂ via Structural Phase Transformation

    Greeshma Suresh^†, Woowon Chung^†, Min Soo Kim^†, Gyuchan Kim^†, M. Usman Ahmad, Jinha Shim, Byung-Hyun Kim^*, and Jin Ho Bang^*

    Advanced Sustainable Systems 9, e00733 (2025) · IF 6.1, Q2, top 27.0% (JCR 2024)

    DOI: 10.1002/adsu.202500733Cited by 3

    ×

    Cited by 3 works

    Enhanced Oxygen Evolution Reaction on Upcycled LiCoO₂ via Structural Phase Transformation

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  • Heterointerface-Driven Electronic Modulation in MoO₂@N/Mo-ReS₂ Hybrid for Efficient Alkaline HER, OER, and Overall Water Splitting

    Manjinder Singh^†, Jaejun Park^†, Hayoung Kim^†, Gyuchan Kim, Dunchan Cha, Dasu Ram Paudel, Byung-Hyun Kim^*, and Seunghyun Lee^*

    Small 21, 2505906 (2025) · IF 12.1, Q1, top 7.2% (JCR 2024)

    DOI: 10.1002/smll.202505906Cited by 25

    ×

    Cited by 25 works

    Heterointerface-Driven Electronic Modulation in MoO₂@N/Mo-ReS₂ Hybrid for Efficient Alkaline HER, OER, and Overall Water Splitting

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  • Synergistic Configuration of Binary Rhodium Single Atoms in Carbon Nanofibers for High-Performance Alkaline Water Electrolyzer

    Natarajan Logeshwaran^†, Gyuchan Kim^†, Pandiarajan Thangavel^†, Sun Seo Jeon, Kaliannan Thiyagarajan, Kampara Roopa Kishore, Hyunjoo Lee, Inseok Seo, Hongseok Yun, Sungho Lee^*, Byung-Hyun Kim^*, and Young Jun Lee^*

    Advanced Science 12, 2413176 (2025) · IF 14.1, Q1, top 7.0% (JCR 2024)

    DOI: 10.1002/advs.202413176Cited by 9

    ×

    Cited by 9 works

    Synergistic Configuration of Binary Rhodium Single Atoms in Carbon Nanofibers for High-Performance Alkaline Water Electrolyzer

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  • Activating the Mn Single Atomic Center for an Efficient Actual Active Site of the Oxygen Reduction Reaction by Spin-State Regulation

    Kiwon Kim^†, Gyuchan Kim^†, Taeyoung Jeong, Wonyoung Lee, Yunho Yang, Byung-Hyun Kim, Bubryur Kim, Byeongyong Lee, Joonhee Kang^*, and Myeongjin Kim^*

    Journal of the American Chemical Society 146, 34033 (2024) · IF 14.5, Q1, top 7.6% (JCR 2023)

    DOI: 10.1021/jacs.4c13137Cited by 137

    ×

    Cited by 137 works

    Activating the Mn Single Atomic Center for an Efficient Actual Active Site of the Oxygen Reduction Reaction by Spin-State Regulation

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  • Time-Efficient Atmospheric Water Harvesting using Fluorophenyl Oligomer Incorporated MOFs

    Min Seok Kang^†, Incheol Heo^†, Sun Ho Park^†, Jinhee Bae, Sangyeop Kim, Gyuchan Kim, Byung-Hyun Kim, Nak Cheon Jeong^*, and Won Cheol Yoo^*

    Nature Communications 15, 9793 (2024) · IF 14.7, Q1, top 5.6% (JCR 2023)

    DOI: 10.1038/s41467-024-53853-7Cited by 37

    ×

    Cited by 37 works

    Time-Efficient Atmospheric Water Harvesting using Fluorophenyl Oligomer Incorporated MOFs

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  • Highly Efficient Water-splitting Electrodes with Stable Operation at 3 A cm^-2 in Alkaline Media through Molecular Linker Assembly-induced All-in-one Structured NiMo and NiFe Electrocatalysts

    Youhyun Son, Jeongmin Mo, Euiju Yong, Jeongyeon Ahn, Gyuchan Kim, Wonyoung Lee, Cheong Hoon Kwon, Hyun Ju, Seung Woo Lee, Byung-Hyun Kim^*, Myeongjin Kim^*, and Jinhan Cho^*

    Applied Catalysis B: Environmental 343, 123563 (2024) · IF 20.3, Q1, top 0.6% (JCR 2023)

    DOI: 10.1016/j.apcatb.2023.123563Cited by 40

    ×

    Cited by 40 works

    Highly Efficient Water-splitting Electrodes with Stable Operation at 3 A cm^-2 in Alkaline Media through Molecular Linker Assembly-induced All-in-one Structured NiMo and NiFe Electrocatalysts

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• 

  Bogeun Park (박보근)

  Integrated M.S./Ph.D. Student (석박통합 5기)

  • H2O2 chemistry
  • Ab initio thermodynamics
  • Li & Na batteries

  bogeunpark at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Aug. 2024, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  2 publications · 11 citations (OpenAlex) · 10 presentations

  Bogeun Park (박보근)

  Integrated M.S./Ph.D. Student

  • H2O2 chemistry
  • Ab initio thermodynamics
  • Li & Na batteries
  • Diffusion & transport
  • TM hydroxides, phosphides & sulfides
  • Oxides & nitrides
  • Carbon materials
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Redox-Active Ligand-Stabilized Lithium Iron Phosphate Nanoparticles for High-Performance Lithium-Ion Battery Cathode with High Capacities and Long-Term Stability

    Jiwon Bok^†, Jeongyeon Ahn^†, Bogeun Park^†, Donghyeon Nam^†, Hee Seung Ryu, Uijun Lee, Jaeyeong Jang, Shihyun Chang, Sungha Choi, Minseong Kwon, Woojae Chang, Du Yeol Ryu, Daegun Kim, Hee-Dae Lim, Byung-Hyun Kim^*, Yongmin Ko^*, and Jinhan Cho^*

    Nano-Micro Letters 19, 12 (2027) · IF 38.5, Q1, top 0.8% (JCR 2025)

    DOI: 10.1007/s40820-026-02313-6

  • Facet-Controlled Growth of Molybdenum Phosphide Single Crystals for Efficient Hydrogen Peroxide Synthesis

    Seo Hyun Kim^†, Jeong-Hyun Kim^†, Bogeun Park^†, Hanhwi Jang, Jeong-Gyu Lee, Soonmin Yim, Jae Won Jeong, Seyoung Koo, Yeon Sik Jung, Byung-Hyun Kim^*, Min-Jae Choi^*, and Hyeuk Jin Han^*

    Advanced Materials 37, 2500250 (2025) · IF 26.8, Q1, top 2.1% (JCR 2024) Inside Front Cover

    DOI: 10.1002/adma.202500250Cited by 11

    ×

    Cited by 11 works

    Facet-Controlled Growth of Molybdenum Phosphide Single Crystals for Efficient Hydrogen Peroxide Synthesis

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• 

  Chaehyeon Moon (문채현)

  Integrated M.S./Ph.D. Student (석박통합 4기)

  • Nucleation & dendrites
  • Ab initio thermodynamics
  • Zinc batteries

  mch3824 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Feb. 2025, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication · 4 citations (OpenAlex) · 3 presentations

  Chaehyeon Moon (문채현)

  Integrated M.S./Ph.D. Student

  • Nucleation & dendrites
  • Ab initio thermodynamics
  • Zinc batteries
  • Nanoparticles & clusters
  • Carbon materials
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • 3D Channeled Porous Carbon Hosts with Cobalt Nanoparticle-Induced Zincophilicity for Stable Zinc Anodes

    Hyunsoo Lee^†, Donghyeon Nam^†, Chaehyeon Moon, Jinseok Park, Michael J. Lee, Keun Hee Kim, Hyeonsoo Han, Donghyeok Roh, Kyungmo Kim, Jaeyoung Choi, Seung Woo Lee, Byung-Hyun Kim^*, Young Jun Lee^*, and Bumjoon J. Kim^*

    Chemical Engineering Journal 529, 172613 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.172613Cited by 4

    ×

    Cited by 4 works

    3D Channeled Porous Carbon Hosts with Cobalt Nanoparticle-Induced Zincophilicity for Stable Zinc Anodes

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• 

  Dong-Kyung Kim (김동경)

  M.S. Student (석사 4기)

  • Nucleation & dendrites
  • Li & Na batteries
  • Diffusion & transport

  kdg0923 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Feb. 2025, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication · 4 presentations

  Dong-Kyung Kim (김동경)

  M.S. Student

  • Nucleation & dendrites
  • Li & Na batteries
  • Diffusion & transport
  • Reaction barriers
  • Carbon materials
  • Interfaces
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Electric-Field-Driven Bilayer Interphase from Oxygenated Nanodiamond-Carbon Nanoparticles for Dendrite-Free Lithium Metal Batteries

    Jaeseong Kim^†, Incheol Heo^†, Dong-Kyung Kim^†, Min Seok Kang, Ji Hee Kwon, Byeong-Seon An, Keir C. Neuman, Byung-Hyun Kim^*, Hak-Sung Jung^*, and Won Cheol Yoo^*

    Advanced Energy Materials 16, e05964 (2026) · IF 25.5, Q1, top 2.4% (JCR 2025)

    DOI: 10.1002/aenm.202505964
• 

  Minhyeok Choi (최민혁)

  M.S. Student (석사 4기)

  • CO2 conversion
  • Li & Na batteries
  • Single-atom catalysts

  alsgur58 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Feb. 2025, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication · 4 presentations

  Minhyeok Choi (최민혁)

  M.S. Student

  • CO2 conversion
  • Li & Na batteries
  • Single-atom catalysts
  • Polymers
  • Electronic descriptors
  • Free-energy diagrams
  • Carbon materials
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Single-Atom Active Sites in Polymeric Phthalocyanine Hybrid Electrocatalysis for High-Efficiency Lithium–Carbon Dioxide Batteries

    Huiju Kim^†, Jun Su Kim^†, Huncheol Seo^†, Yeji Lim, Suji Kim, Yoon Jeong Yoo, Yoonbin Kim, Won Il Kim, Hyun Chul Kim, Minhyeok Choi, Kihyun Shin, Byung-Hyun Kim^*, Ho Seok Park^*, and Won-Hee Ryu^*

    Advanced Functional Materials e78821 · IF 19.9, Q1, top 4.2% (JCR 2025) In press

    DOI: 10.1002/adfm.78821
• 

  Chae-Eun Lim (임채은)

  M.S. Student (석사 4기)

  • TM hydroxides, phosphides & sulfides
  • HER
  • Defects & vacancies

  lcn2000 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Feb. 2025, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication · 3 presentations

  Chae-Eun Lim (임채은)

  M.S. Student

  • TM hydroxides, phosphides & sulfides
  • HER
  • Defects & vacancies
  • Doping & promoters
  • Free-energy diagrams
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Vacancy-Mediated Dual-Step Phosphorization–Sulfurization of MnMoO₄ for Efficient Acidic Hydrogen Evolution

    Jyoti Ganapati Badiger, Chae-Eun Lim, Fawad Tariq, Maheswari Arunachalam, Suzan Abdelfattah Sayed, Alaa M. Ibrahim, Sang-Wan Ryu, Byung-Hyun Kim^*, and Soon Hyung Kang^*

    Journal of Materials Chemistry A 14, 26673 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Front Cover

    DOI: 10.1039/D6TA01695B
• 

  JaeBeom Hwang (황재범)

  M.S. Student (석사 3기)

  • Corrosion
  • Composites
  • Metals & alloys

  jaehwang2000 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Feb. 2025, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication · 1 presentation

  JaeBeom Hwang (황재범)

  M.S. Student

  • Corrosion
  • Composites
  • Metals & alloys
  • Carbon materials
  • Interfaces
  • DFT

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Synergistic Corrosion Inhibition of Interfacially Engineered Al-O/CNT Composites through Al-O-C Chemical Anchoring

    Seon-Min Kim, Seoyoon Gong, JaeBeom Hwang, Byung-Hyun Kim, Donghyun Bae, and Se-Eun Shin^*

    npj Materials Degradation 10, 121 (2026) · IF 7.5, Q1, top 23.2% (JCR 2025)

    DOI: 10.1038/s41529-026-00865-x
• 

  Min Seo Kim (김민서)

  Integrated M.S./Ph.D. Student (석박통합 1기)

  • ORR & fuel cells
  • Strain
  • Nanoparticles & clusters

  mskim99 at hanyang.ac.kr

  Department of Applied Chemistry, Hanyang University

  • B.S., Aug. 2026, Department of Chemical and Molecular Engineering, Hanyang University ERICA
  ×

  1 publication

  Min Seo Kim (김민서)

  Integrated M.S./Ph.D. Student

  • ORR & fuel cells
  • Strain
  • Nanoparticles & clusters
  • Noble metals
  • Electronic descriptors
  • Free-energy diagrams
  • Carbon materials
  • DFT

  † equal contribution · * corresponding author

  • Upcycled Polymer Waste-Derived N-Doped Carbon Supports Enabling Durable PtCo Catalysts for PEM Fuel Cells

    Yewon Kim^†, Daehyeon Seo^†, Min Seo Kim, Su Min Ahn, Se Youn Cho, Yunji Kim, Jiho Choi, Byung-Hyun Kim^*, Hongseok Yun^*, and Young Jun Lee^*

    Chemical Engineering Journal 547, 180588 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.180588
• 

  Gyeongrok Kim (김경록)

  Undergraduate Student (학부 4학년)

  meein4660 at hanyang.ac.kr

  Department of Energy and Bio Sciences, Hanyang University ERICA

• 

  Hyunjoo Hwang (황현주)

  Undergraduate Student (학부 4학년)

  hj0405 at hanyang.ac.kr

  Department of Energy and Bio Sciences, Hanyang University ERICA

• 

  Dongwan Kim (김동완)

  Undergraduate Student (학부 4학년)

  kdwan0914 at hanyang.ac.kr

  Department of Energy and Bio Sciences, Hanyang University ERICA

• 

  Yongeun Kim (김용은)

  Undergraduate Student (학부 4학년)

  abckim04 at hanyang.ac.kr

  Department of Energy and Bio Sciences, Hanyang University ERICA

Alumni.

• Jaekyum Kim (김재겸) : Ph.D. (2021–2026); currently a Postdoctoral Researcher at Korea Univ.
  ×

  8 publications · 68 citations (OpenAlex) · 9 presentations

  Jaekyum Kim (김재겸)

  Ph.D.

  • Photoelectrochemistry
  • Oxides & nitrides
  • Perovskites
  • Doping & promoters
  • Surface reconstruction
  • OER
  • Electronic descriptors
  • Free-energy diagrams
  • Grand-canonical DFT
  • Microkinetic modeling

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Sustainable Low-Valent Iridium Active Sites in Rhenium Doped Perovskite Iridates for Efficient Acidic Oxygen Evolution Reaction via Hybridized Reaction Pathways

    SungJae Park^†, Jaekyum Kim^†, Daehee Yang^†, Jinkyu Lim^†, Seong Hyun Park, Min Gyu Choi, Kang Taek Lee, Jihye Lee, Ashishi Gaur, Ghulam Ali, Haryeon Baek, In-Hui Hwang, Mingony Kim, Kyung Yoon Chung, Jung Kyu Kim^*, Young-Min Kim^*, Byung-Hyun Kim^*, and HyukSu Han^*

    Angewandte Chemie-International Edition e1466065 · IF 17.6, Q1, top 6.2% (JCR 2025) In press

    DOI: 10.1002/anie.1466065

  • Facilitating Hydrogen Evolution Reaction Activity in Alkaline Water Electrolysis via Formation of Ni-Co₂P Heterojunction

    Junseok Sim^†, Wan Sik Kim^†, Jaekyum Kim, Asiya M. Tamboli, Younghan Jung, Sejin Im, JunSeok Oh, Jung Kyu Kim, Byung-Hyun Kim^*, and Chang-Hee Kim^*

    Energy & Environmental Materials e70385 · IF 13.8, Q1, top 10.2% (JCR 2025) In press

    DOI: 10.1002/eem2.70385Cited by 2

    ×

    Cited by 2 works

    Facilitating Hydrogen Evolution Reaction Activity in Alkaline Water Electrolysis via Formation of Ni-Co₂P Heterojunction

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  • Spatially Extended Interfacial Optimization via Holey-Defect Architectures for Hydrogen Evolution Reaction

    Chengang Pei^†, Jaekyum Kim^†, Dong Zhang, Won Tae Hong, Jong Hun Kim, Xu Yu, Jongwook Park, Chan-Hwa Chung, Byung-Hyun Kim^*, Ho Seok Park^*, and Jung Kyu Kim^*

    Small 22, e00032 (2026) · IF 11.8, Q1, top 8.1% (JCR 2025)

    DOI: 10.1002/smll.202600032Cited by 2

    ×

    Cited by 2 works

    Spatially Extended Interfacial Optimization via Holey-Defect Architectures for Hydrogen Evolution Reaction

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  • All-Inorganic Perovskite@SiO₂ Quantum Dots for Amplifying the Interfacial Electric Field on WO₃ Toward Enhanced Photoelectrochemical Water Splitting

    Won Tae Hong^†, Yuankai Li^†, Jaekyum Kim, Dokyum Kim, Jaemin Park, Wooseok Yang, Jongwook Park, Hanleem Lee, Chang Hyuck Choi, Byung-Hyun Kim, Chang-Lyoul Lee^*, Tae-Hoon Kim^*, and Jung Kyu Kim^*

    SusMat 6, e70066 (2026) · IF 19.2, Q1, top 2.2% (JCR 2025)

    DOI: 10.1002/sus2.70066

  • Roles of Alkaline-Earth Metals and Electron Density of Al³⁺ in Octanol Dehydration for Linear Alpha-Olefin Production

    Young-eun Kim^†, Jaekyum Kim^†, Unho Jung, Yongha Park, Min Hye Youn, Dong Hyun Chun, Byeong-Seon An, Jung Kyu Kim, Byung-Hyun Kim^*, Ki Bong Lee^*, and Kee Young Koo^*

    Journal of Materials Chemistry A 14, 403 (2026) · IF 9.2, Q1, top 17.3% (JCR 2025) Back Cover

    DOI: 10.1039/D5TA06534HCited by 1

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    Cited by 1 works

    Roles of Alkaline-Earth Metals and Electron Density of Al³⁺ in Octanol Dehydration for Linear Alpha-Olefin Production

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  • Rapid Flame Induced Dual-Metal Doping on WO₃ Electrode for Boosting Photo-Electrochemical Water Oxidation

    Seung Hun Roh^†, Jaekyum Kim^†, Won So, Yuankai Li, Won Tae Hong, Hyun Min Kwon, Sae Byeok Jo, Wooseok Yang, Byung-Keun Oh, Chan-Hwa Chung, Jongwook Park, Chisung Ahn^*, Byung-Hyun Kim^*, and Jung Kyu Kim^*

    Energy Materials 5, 500128 (2025) · IF 11.2, Q1, top 10.2% (JCR 2024)

    DOI: 10.20517/energymater.2025.59Cited by 4

    ×

    Cited by 4 works

    Rapid Flame Induced Dual-Metal Doping on WO₃ Electrode for Boosting Photo-Electrochemical Water Oxidation

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  • Highly Selective Photoelectrochemical Glycerol Valorization toward Lactic Acid with Low-Valence Bimetallic Overlayer on CuWO₄

    Yuankai Li^†, Jaekyum Kim^†, Won Tae Hong, Jun Young Kim, Qian Lei, Hyungu Han, Unbeom Baeck, Dong Hyun Kim, Chang Hyuck Choi, Byung-Hyun Kim^*, Chan-Hwa Chung, and Jung Kyu Kim^*

    ACS Energy Letters 10, 2305 (2025) · IF 18.9, Q1, top 4.1% (JCR 2024) Cover

    DOI: 10.1021/acsenergylett.5c00551Cited by 11

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    Cited by 11 works

    Highly Selective Photoelectrochemical Glycerol Valorization toward Lactic Acid with Low-Valence Bimetallic Overlayer on CuWO₄

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  • Coordination Engineering of N, O Co-Doped Cu Single Atom on Porous Carbon for High Performance Zinc Metal Anodes

    Kyungbin Lee^†, Eun Ji Kim^†, Jaekyum Kim, Keun Hee Kim, Young Jun Lee, Michael J. Lee, Kun Ryu, Sangyong Shin, Jaeyoung Choi, Seung Ho Kwon, Hyunjoo Lee, Jung Kyu Kim, Byung-Hyun Kim^*, Bumjoon J. Kim^*, and Seung Woo Lee^*

    Advanced Energy Materials 14, 2303803 (2024) · IF 24.4, Q1, top 2.6% (JCR 2023)

    DOI: 10.1002/aenm.202303803Cited by 48

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    Cited by 48 works

    Coordination Engineering of N, O Co-Doped Cu Single Atom on Porous Carbon for High Performance Zinc Metal Anodes

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• Huncheol Seo (서훈철) : M.S. (2024–2026)
  ×

  2 publications · 12 citations (OpenAlex) · 7 presentations

  Huncheol Seo (서훈철)

  M.S.

  • CO2 conversion
  • Li & Na batteries
  • Zinc batteries
  • Single-atom catalysts
  • Diffusion & transport
  • Reaction barriers
  • Polymers
  • Electronic descriptors
  • Oxides & nitrides
  • Free-energy diagrams

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Single-Atom Active Sites in Polymeric Phthalocyanine Hybrid Electrocatalysis for High-Efficiency Lithium–Carbon Dioxide Batteries

    Huiju Kim^†, Jun Su Kim^†, Huncheol Seo^†, Yeji Lim, Suji Kim, Yoon Jeong Yoo, Yoonbin Kim, Won Il Kim, Hyun Chul Kim, Minhyeok Choi, Kihyun Shin, Byung-Hyun Kim^*, Ho Seok Park^*, and Won-Hee Ryu^*

    Advanced Functional Materials e78821 · IF 19.9, Q1, top 4.2% (JCR 2025) In press

    DOI: 10.1002/adfm.78821

  • Enhanced Electrochemical Performance of Aqueous Zn-Ion Batteries Based on Na₂V₆O₁₆∙2H₂O Cathodes: Insights from DFT and Synchrotron X-ray Analysis

    Younghee So^†, Huncheol Seo^†, Seung Hwan Lee^†, Eunseo Lee, Jinyoung Lee, Joonhee Kang, Young Yong Kim^*, Byung-Hyun Kim^*, and Sungwook Mhin^*

    Journal of Materials Chemistry A 13, 8761 (2025) · IF 9.5, Q1, top 13.6% (JCR 2024)

    DOI: 10.1039/D4TA08338ECited by 12

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    Cited by 12 works

    Enhanced Electrochemical Performance of Aqueous Zn-Ion Batteries Based on Na₂V₆O₁₆∙2H₂O Cathodes: Insights from DFT and Synchrotron X-ray Analysis

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• Dr. Matthew J. Wolf : Visiting Researcher from RWTH Aachen University (2025)
  ×

  1 publication · 4 citations (OpenAlex)

  Dr. Matthew J. Wolf

  Visiting Researcher from RWTH Aachen University

  • Active learning
  • HER
  • Noble metals
  • OER
  • Metals & alloys
  • DFT

  † equal contribution · * corresponding author

  • Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

    Kwangsoo Kim, Matthew J. Wolf, YongJoo Kim^*, and Byung-Hyun Kim^*

    Chemical Engineering Journal 536, 176134 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.176134Cited by 4

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    Cited by 4 works

    Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

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• Kwangsoo Kim (김광수) : Ph.D. (2020–2025); currently a Postdoctoral Researcher at Korea Univ.
  ×

  12 publications · 151 citations (OpenAlex) · 27 presentations

  Kwangsoo Kim (김광수)

  Ph.D.

  • Adsorption & separation
  • Doping & promoters
  • Automated synthesis
  • Thermal catalysis
  • Metals & alloys
  • Reaction barriers
  • CO2 conversion
  • Noble metals
  • Porous frameworks
  • Free-energy diagrams

  Journal PapersConference Presentations

  † equal contribution · * corresponding author

  • Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

    Kwangsoo Kim, Matthew J. Wolf, YongJoo Kim^*, and Byung-Hyun Kim^*

    Chemical Engineering Journal 536, 176134 (2026) · IF 12.5, Q1, top 4.0% (JCR 2025)

    DOI: 10.1016/j.cej.2026.176134Cited by 4

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    Cited by 4 works

    Active Learning-Driven Multi-Objective Design of High-Entropy Alloy Catalysts for Saline Water Electrolysis

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  • Exploring Materials Data through Collaboration: 2024 KRICT ChemDX Hackathon

    Su-Hyun Yoo^*, Andre K. Y. Low, Jose Recatala-Gomez, Harikrishna Sahu, Chiho Kim, Joonyoung F. Joung, Hoje Chun, Katerina A. Christofidou, Joshua Berry, Michail Minotakis, Kisung Kang, Kwangsoo Kim, Gaheun Shin, Hyunwoo Jang, Sanghyuk Lee, Minkyu Park, Byung-Hyun Kim, Kihyun Shin, Jungho Shin, Aloysius Soon, Joshua Schrier^*, and Woosun Jang^*

    Journal of Materials Informatics 5, 54 (2025) · IF 5.6, Q2, top 28.7% (JCR 2024)

    DOI: 10.20517/jmi.2025.65

  • Durable and Efficient Solar CO₂-to-CO Conversion Enabled by Single-Atom Ag on Zn₃(PO₄)₂ Cathode Coupled with a GaAs/Pt_SA@NiOOH Photoanode

    Maheswari Arunachalam, Kwangsoo Kim, Kug-Seung Lee, Byung-Hyun Kim^*, and Soon Hyung Kang^*

    Advanced Energy Materials 15, e02953 (2025) · IF 26.0, Q1, top 2.5% (JCR 2024)

    DOI: 10.1002/aenm.202502953Cited by 13

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    Cited by 13 works

    Durable and Efficient Solar CO₂-to-CO Conversion Enabled by Single-Atom Ag on Zn₃(PO₄)₂ Cathode Coupled with a GaAs/Pt_SA@NiOOH Photoanode

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  • Optimizing KOH/cPVC Ratio for Improved CH₄ and CO₂ Adsorption Capacities of Porous Carbon Adsorbents

    Phuong Uyen Do, Kwangsoo Kim, Byung-Hyun Kim, and Chan Hyun Lee^*

    Chemistry of Materials 37, 1047 (2025) · IF 7.0, Q1, top 22.0% (JCR 2024)

    DOI: 10.1021/acs.chemmater.4c02733Cited by 7

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    Cited by 7 works

    Optimizing KOH/cPVC Ratio for Improved CH₄ and CO₂ Adsorption Capacities of Porous Carbon Adsorbents

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  • Novel Solid-State Synthesis of Surfactant- and Solvent-free Pd Tetrahedron Nanocatalysts

    Kyung Hee Oh, Kwangsoo Kim, Jin Gyu Lee, Nahyun Park, Hack-Keun Lee, Shin Wook Kang, Jung-Il Yang, Byeong-Seon An, Kang Hyun Park, Chang Seop Hong^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Journal of Materials Chemistry A 12, 1233 (2024) · IF 10.8, Q1, top 9.1% (JCR 2023)

    DOI: 10.1039/d3ta06056jCited by 7

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    Cited by 7 works

    Novel Solid-State Synthesis of Surfactant- and Solvent-free Pd Tetrahedron Nanocatalysts

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  • Unexpected Penetration of CO Molecule into Zeolitic Micropores Almost Plugged by CuCl via π-Complexation of CO-CuCl

    Chan Hyun Lee^†*, Kwangsoo Kim^†, Jisoo Kim, Kanghee Cho, Sang-Sup Han, Hyun Wook Kim, Ki Bong Lee, Byung-Hyun Kim, Jong Hyeok Park, Kyoungsoo Kim, and Jong-Ho Park^*

    ACS Applied Materials & Interfaces 15, 27411 (2023) · IF 9.5, Q1, top 15.8% (JCR 2022)

    DOI: 10.1021/acsami.3c04849Cited by 8

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    Cited by 8 works

    Unexpected Penetration of CO Molecule into Zeolitic Micropores Almost Plugged by CuCl via π-Complexation of CO-CuCl

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  • An Electrochemically Active Textile Current Collector with a High Areal Capacity and a Strong Energy Recovery Effect Using an Interfacial Interaction Assembly

    Euiju Yong^†, Donghyeon Nam^†, Yangsoo Kim, Kwangsoo Kim, Byung-Hyun Kim^*, Yongmin Ko^*, and Jinhan Cho^*

    Energy Storage Materials 60, 102813 (2023) · IF 20.4, Q1, top 4.2% (JCR 2022)

    DOI: 10.1016/j.ensm.2023.102813Cited by 8

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    Cited by 8 works

    An Electrochemically Active Textile Current Collector with a High Areal Capacity and a Strong Energy Recovery Effect Using an Interfacial Interaction Assembly

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  • Electrochemical Partial Reduction of Ni(OH)₂ to Ni(OH)₂/Ni via Coupled Oxidation of an Interfacing NiAl Intermetallic Compound for Robust Hydrogen Evolution

    Young Hwa Yun^†, Kwangsoo Kim^†, Changsoo Lee^†, Byeong-Seon An, Ji Hee Kwon, Sechan Lee, MinJoong Kim, Jongsu Seo, Jong Hyeok Park^*, Byung-Hyun Kim^*, and Hyun-Seok Cho^*

    Journal of Energy Chemistry 82, 560 (2023) · IF 13.1, Q1, top 2.1% (JCR 2022)

    DOI: 10.1016/j.jechem.2023.03.023Cited by 44

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    Cited by 44 works

    Electrochemical Partial Reduction of Ni(OH)₂ to Ni(OH)₂/Ni via Coupled Oxidation of an Interfacing NiAl Intermetallic Compound for Robust Hydrogen Evolution

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  • Colossal Dielectric Perovskites of Calcium Copper Titanate(CaCu₃Ti₄O₁₂) with Low-Iridium Dopants Enables Ultrahigh Mass Activity for the Acidic Oxygen Evolution Reaction

    Nguyen Thi Thu Thao^†, Kwangsoo Kim^†, Jeong Ho Ryu^†, Byeong-Seon An, Arpan Kumar Nayak, Jin Uk Jang, Kyeong-Han Na, Won-Youl Choi, Ghulam Ali, Keun Hwa Chae, Muhammad Akbar, Kyung Yoon Chung, Hyun-Seok Cho, Jong Hyeok Park, Byung-Hyun Kim^*, and HyukSu Han^*

    Advanced Science 10, 2207695 (2023) · IF 15.1, Q1, top 6.8% (JCR 2022) Inside Front Cover

    DOI: 10.1002/advs.202207695Cited by 36

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    Cited by 36 works

    Colossal Dielectric Perovskites of Calcium Copper Titanate(CaCu₃Ti₄O₁₂) with Low-Iridium Dopants Enables Ultrahigh Mass Activity for the Acidic Oxygen Evolution Reaction

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  • Crucial Role of Alkali Metal Ions and Si/Al ratio in Selective Adsorption of 1-Octene using Faujasite Zeolites

    Hui Seon Park^†, Dong-Woo Cho^†, Kwangsoo Kim, Byung-Hyun Kim, Jongkee Park, Chung-Yul Yoo^*, and Taesung Jung^*

    Separation and Purification Technology 314, 123531 (2023) · IF 8.6, Q1, top 8.1% (JCR 2022)

    DOI: 10.1016/j.seppur.2023.123531Cited by 8

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    Cited by 8 works

    Crucial Role of Alkali Metal Ions and Si/Al ratio in Selective Adsorption of 1-Octene using Faujasite Zeolites

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  • A New Automated Synthesis of a Coke-resistant Cs-promoted Ni-supported Nanocatalyst for Sustainable Dry Reforming of Methane

    Kyung Hee Oh, Jin Hee Lee, Kwangsoo Kim, Hack-Keun Lee, Shin Wook Kang, Jung-Il Yang, Jong-Ho Park, Chang Seop Hong^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Journal of Materials Chemistry A 11, 1666 (2023) · IF 11.9, Q1, top 8.8% (JCR 2022) Inside Front Cover

    DOI: 10.1039/D2TA08442BCited by 8

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    Cited by 8 works

    A New Automated Synthesis of a Coke-resistant Cs-promoted Ni-supported Nanocatalyst for Sustainable Dry Reforming of Methane

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  • Unravelling the K-Promotion Effect in Highly Active and Stable Fe₅C₂ Nanoparticles for Catalytic Linear α-Olefin Production

    Jin Hee Lee^†, Hack-Keun Lee^†, Kwangsoo Kim, Geun Bae Rhim, Min Hye Youn, Heondo Jeong, Jong Hyeok Park, Dong Hyun Chun^*, Byung-Hyun Kim^*, and Ji Chan Park^*

    Materials Advances 2, 1050 (2021)

    DOI: 10.1039/D0MA00920BCited by 8

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    Cited by 8 works

    Unravelling the K-Promotion Effect in Highly Active and Stable Fe₅C₂ Nanoparticles for Catalytic Linear α-Olefin Production

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Research environment.

~1,120

CPU cores

4

GPUs

26

compute nodes

In-house cluster

×

Cluster status

Open as a page

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13 nodes with 2× Intel Xeon Gold 6530 (64 cores, 256 GB each), 2 large-memory nodes (384 and 512 GB), 4 further compute nodes (24–64 cores, 256 GB) and 6 small 4-core nodes for light calculations

GPU node

4× NVIDIA RTX A6000 for machine learning (including machine-learning potentials) and GPU-accelerated molecular dynamics

National supercomputer

KISTI Nurion, through the KISTI supercomputing support program

Simulation codes

• VASP
• Quantum ESPRESSO
• DMol3
• Gaussian
• LAMMPS
• OpenMM
• GROMACS
• Materials Studio