Plane-wave pseudopotential density functional theory periodic slab calculations of CO adsorption on Cu2O(111) surface

Chemical Compounds

• Plane Wave 88%
• Pseudopotential 84%
• Slab Like Crystal 75%
• Density Functional Theory 41%
• Adsorption 32%
• Density of State 23%
• Interfacial Energy 21%
• Surface 21%
• Binding Energy 19%
• Carbon Monoxide 19%
• Red 15%

Physics & Astronomy

• pseudopotentials 66%
• slabs 58%
• plane waves 55%
• density functional theory 51%
• adsorption 51%
• carbon monoxide 25%
• red shift 23%
• surface energy 21%
• binding energy 19%
• stabilization 18%
• plots 18%

Engineering & Materials Science

• Density functional theory 100%
• Adsorption 65%
• Red Shift 36%
• Binding energy 35%
• Interfacial energy 27%
• Carbon monoxide 24%
• Relaxation 20%
• Stabilization 18%