Adsorption of dimers and trimers of Cu, Ag, and Au on regular sites and oxygen vacancies of the MgO(001) surface: A density functional study using embedded cluster models

Keyphrases

• Adsorbate 33%
• Adsorbed Atoms 33%
• Adsorption 100%
• Adsorption Energy 33%
• Ag-Au 33%
• Cluster Embedding 33%
• Cohesion 33%
• Coinage Metals 33%
• Computational Approach 33%
• Cu-Ag 100%
• CuAu 100%
• Density Functional 33%
• Density Functional Study 100%
• Density Gradient 33%
• Dimerization 33%
• Electron Density 33%
• Electrostatic Force 33%
• Embedded Cluster 100%
• First-principles 33%
• Generalized Gradient 33%
• Metal-oxide Interaction 33%
• MgO Surface 100%
• MgO(001) 33%
• Oxygen Vacancy 100%
• Pauli Repulsion 33%
• Polarizable 33%
• Slab Model 33%
• Surface Sites 33%
• Terraces 33%
• Trimer 100%

Material Science

• Adsorbate 50%
• Carrier Concentration 50%
• Density 100%
• Dimerization 50%
• Electron Transfer 50%
• Magnesium Oxide 100%
• Metal Oxide 50%
• Oxygen Vacancy 100%
• Surface (Surface Science) 100%

Chemical Engineering

• Dimer 100%
• Dimerization 50%