Keyphrases
First-principles Calculations
100%
Fermi Level
100%
TiO2(110)
100%
Oxygen Defects
100%
Exchange Mechanism
100%
Gas-solid
100%
Level Dependence
100%
Solid Oxygen
100%
Energy Landscape
66%
Metastable States
66%
Thermal Barrier
33%
Density Functional Theory
33%
Rutile
33%
Interstitial Atoms
33%
Oxide Semiconductor
33%
Valence Band Edge
33%
Conduction Band Edge
33%
Thermodynamic Stability
33%
Dumbbell
33%
From below
33%
Surface Reaction
33%
Reaction Pathway
33%
Fermi Energy
33%
Surface Defects
33%
Oxygen Interstitials
33%
Semiconductor Surface
33%
Conduction Band Electron
33%
Overall Energy
33%
Interstitial Implantation
33%
Interstitial Species
33%
Chemistry
First Principle
100%
Fermi Level
100%
Titanium Dioxide
100%
Conduction Band
50%
Energy Landscape
50%
Density Functional Theory
25%
Crystal Point Defect
25%
Valence Band
25%
stability
25%
Surface Reaction
25%
Material Science
Titanium Dioxide
100%
Energy Landscape
50%
Density
25%
Oxide Semiconductor
25%
Point Defect
25%
Surface Reaction
25%
Surface (Surface Science)
25%
Chemical Engineering
Titanium Dioxide
100%
Oxide Semiconductors
25%