Single d-metal atoms on F_s and F_s⁺ defects of MgO(001): A theoretical study across the periodic table

Keyphrases

• Binding Energy 100%
• Metal Atoms 100%
• MgO(001) 100%
• Periodic Table 100%
• All-d-metal 100%
• Metal Center 25%
• 2-complex 25%
• Negative Charge 25%
• PdPt 25%
• Ni-Pd 25%
• Transition Elements 25%
• Electron Density 25%
• Terraces 25%
• Level Energies 25%
• Cluster Model 25%
• Adsorbed Atoms 25%
• Core Level 25%
• Experimental Detection 25%
• Oxygen Defects 25%
• Ag-Au 25%
• Cu-Ag 25%
• Polarizable 25%
• MgO Surface 25%
• Density Functional Method 25%
• Group 11 25%
• Exchange-correlation Functionals 25%
• Cr-Mo 25%
• Oxide Support 25%
• O Defects 25%
• Metal Detection 25%
• Energy Increase 25%
• Energy Trends 25%

Material Science

• Magnesium Oxide 100%
• Density 50%
• Carrier Concentration 50%
• Transition Metal 50%
• Oxide Compound 50%
• Surface (Surface Science) 50%