논문
학회 94곳에서 발표 165건
Design of High-performance Electrocatalysts for Green Hydrogen Production and Uses: A Computational Materials Science Approach
Understanding Synergistic Metal-Oxide Interactions for Designing High-Performance Electrocatalysts
Boosting Photoelectrochemical Water Oxidation by Introducing Homogeneous Metal Oxide Interlayer
Exploring the Effects of Ir Doping in CaCu3Ti4O12 for Enhanced OER Performance: A Density Functional Theory Study
Understanding the role of Ir incorporation in CaCu3Ti4O12 for designing excellent OER electrocatalysts
The Robust Design of Fe-Rich Ni-Fe LDH with Exceptional Stability under the Dynamic Operation of Alkaline Water Electrolyser
Understanding the origin of Enhanced OER Activity in Ir Doped CaCu3Ti4O12: A Density Functional Theory Study
Enhancing Photoelectrochemical Hydrogen Peroxide Production by Introducing Amorphous Overlayer on Metal Oxide
Effect of Nitrogen Ligand Type on 3d Orbital Level Rearrangement of Cobalt Single Atom Catalysts
Synergistic Metal-Oxide Interactions for Designing High-Performance Electrocatalysts
Unveiling effects of phase transition and atomic defects of Raney nickel on hydrogen evolution reaction for water electrolysis: A density functional theory study
Understanding Synergistic Metal-Oxide Interactions of Hybrid Catalysts for Designing High-Performance Electrocatalysts
Design of Metal-doped 2D Materials for A Superior Oxygen Reduction Reaction Catalyst: from Density Functional Theory and Data Analysis to Experiment
Remarkably Enhanced Oxygen Evolution Activity of CaCu3Ti4O12 via Ir Doping: A Density Functional Theory Study
Enhancing Photoelectrochemical Water Oxidation by Introducing Flame Vapor Deposition of Metal Oxide Interlayer
Understanding Synergistic Metal-Oxide Interactions for Designing High-Performance Electrocatalysts
A density functional theory study on leaching process of Raney nickel and effect of leaching on hydrogen evolution reactions for alkaline electrolysis
Synergistic Metal-Oxide Interactions of Hybrid Catalysts for High-Performance Water Electrolysis: A Density Functional Theory Study
The Origin of Al Leaching Capability Depending on Ni-Al Compositions and Enhanced Hydrogen Evolution Performance of Raney Nickel: A Density Functional Theory Study
Unraveling Selective Leaching Mechanism Depending on Ni-Al Compositions and Its Effect on Hydrogen Evolution Reactions: A Density Functional Theory Study
Understanding Metal-Oxide Interactions of Hybrid Catalysts for Alkaline Water Electrolysis
Multiscale Modeling of Interface Formation and Its Effect on Redox Chemistry of CeO2 Nanoparticles
Role of Metal-Oxide Interactions of Hybrid Catalysts in Enhancing Catalytic Activity for Alkaline Water Electrolysis: A Density Functional Theory Study
알칼라인 수전해 수소발생 전극 소재 Raney Ni의 선택적 리칭 메커니즘 및 수소발생 효율에 미치는 영향에 대한 제일원리계산 연구
A first-principles study of selective leaching mechanism of Raney Ni and its effect on hydrogen evolution reactions for alkaline electrolysis
Understanding Synergistic Metal-Oxide Interactions of Hybrid Catalysts for Enhanced Water Splitting
Unveiling the Mechanism of High CO/CO2 Selectivity of CuCl-incorporated Zeolites with Different Pore Sizes : A Density Functional Theory Study
Multiscale Simulation of Rearrangement of Nafion Ionomers Induced by Carbon Corrosion and Its Effect on Performance Degradation in PEMFC
Improvements of electrodes stability in discontinuous operations of alkaline water electrolysis
Origin of Performance Degradation in PEMFC: Rearrangement of Ionomers Induced by Carbon Corrosion
Size dependent oxygen chemistry of CeO2 nanoparticles
First-Principles Data-Driven Machine Learning for Heterogeneous Catalysts
Multiscale Modeling of Interface Effects on the Redox Chemistry of Ceria Nanoparticles
A2P2, Python Package for Automated Atomistic Simulations
Multiscale modelling of indirect-to-direct band gap transition in silicon nanosheets
Multiscale Modelling of the Oxygen Chemistry of CeO2 Nanoparticles
Prediction of Crystal Structure of Hybrid Organic-Inorganic Perovskite by First-Principles Evolutionary Technique
Interface Effects on the Oxygen Chemistry of CeO2 Nanoparticles using Multiscale Modelling
Multiscale modelling of CeO2 nano-interfaces
Multiscale modelling of reactive metal oxides
Multi-scale Approach for Roughness Effect of Si-SiO2 Nanowire Interface on Electronic Transport