Revisiting Competing Paths in Electrochemical CO₂Reduction on Copper via Embedded Correlated Wavefunction Theory

Engineering & Materials Science

• Density functional theory 100%
• Wave functions 92%
• Copper 54%
• Adsorption 43%
• Adsorbates 16%
• Electronic structure 16%
• Discrete Fourier transforms 12%
• Hydrogen 8%

Physics & Astronomy

• density functional theory 51%
• copper 47%
• adsorption 34%
• embedding 22%
• plane waves 18%
• selectivity 10%
• electronic structure 8%
• hydrogen 6%
• predictions 5%
• approximation 5%
• energy 3%

Chemical Compounds

• Density Functional Theory 41%
• Plane Wave 29%
• Adsorption 21%
• Reduction 20%
• Reaction Selectivity 14%
• Error 8%
• Electronic State 8%
• Hydrogen 5%
• Energy 5%