Facet-dependent electrocatalysis in the HCOOH synthesis from CO₂ reduction on Cu catalyst: a density functional theory study

Engineering & Materials Science

• Electrocatalysis 100%
• Density functional theory 81%
• Catalysts 46%
• Formic acid 20%
• Dangling bonds 12%
• Electrochemistry 9%
• Catalyst supports 9%
• Hydrogenation 8%
• Catalyst activity 8%
• Crystallinity 8%
• Alcohols 7%
• Ethylene 7%
• Ethanol 6%
• Surface properties 6%
• Nanoparticles 6%
• Methane 6%
• Hydrocarbons 6%
• Surface roughness 5%
• Copper 5%
• Liquids 4%
• Temperature 2%

Physics & Astronomy

• catalysts 50%
• flat surfaces 48%
• density functional theory 41%
• synthesis 39%
• formic acid 19%
• electrochemistry 8%
• catalytic activity 8%
• products 8%
• energy sources 7%
• coordination number 7%
• hydrogenation 7%
• alcohols 7%
• surface properties 6%
• ethyl alcohol 6%
• ethylene 6%
• selectivity 6%
• hydrocarbons 6%
• methane 6%
• crystallinity 6%
• liquid phases 5%
• surface roughness 5%
• rods 5%
• diagrams 5%
• copper 4%
• orbitals 4%
• nanoparticles 4%
• room temperature 3%
• electronics 3%
• energy 2%

Chemical Compounds

• Electrocatalysis 58%
• Reduction 24%
• Catalyst 22%
• Surface 17%
• Formic Acid 12%
• Dangling Bond 8%
• Surface Activity 7%
• Face-Centered Cubic Crystal System 7%
• Surface Roughness 6%
• Energy 6%
• Rod Like Crystal 6%
• Electrochemistry 6%
• Orbital 5%
• Methane 5%
• Crystallinity 5%
• Hydrogenation 5%
• Hydrocarbon 4%
• Shape 4%
• Ethanol 4%
• Density Functional Theory 4%
• Alcohol 4%
• Ambient Reaction Temperature 3%
• Liquid 3%
• Nanoparticle 3%