Computational screening of effective g-C3N4 based single atom electrocatalysts for the selective conversion of CO2

Engineering & Materials Science

• Electrocatalysts 100%
• Atoms 67%
• Screening 60%
• Catalysts 55%
• Catalyst activity 40%
• Transition metals 31%
• Graphitic Carbon Nitride 22%
• Density functional theory 16%
• Catalyst selectivity 15%
• Electrons 10%
• Adsorption 10%
• Carbon 8%
• Experiments 3%

Chemical Compounds

• Catalyst 27%
• Reduction 19%
• Transition Element 15%
• Oxalonitrile 11%
• Electrochemical Reduction 10%
• Indicator 9%
• Electron Transfer 7%
• Density Functional Theory 6%
• Adsorption 5%
• Carbon Atom 5%
• Time 3%