Catalytic promotion and poisoning: All-electron local-density-functional theory of CO on Ni(001) surfaces coadsorbed with K or S

INIS

• surfaces 100%
• electrons 50%
• dissociation 50%
• molecules 25%
• layers 25%
• density functional method 25%
• occupations 25%
• adsorption 25%
• electrostatics 25%
• wave propagation 25%
• poisoning 25%

Chemistry

• Surface 100%
• Electron Particle 50%
• Dissociation 50%
• Adsorption 50%
• Density Functional Theory 25%
• Electrostatic Potential 25%
• Augmented Plane Wave Method 25%
• Molecule 25%
• Potential 25%

Material Science

• Surface 100%