Keyphrases
Adsorption
100%
Molecular Oxygen
100%
SrTiO3
100%
(001) Surface
100%
Atomic Oxygen
100%
Hybrid Density Functional Calculations
100%
Surface Prediction
100%
Density Functional Theory
66%
Rutile
66%
Two Dimensional
33%
Ab Initio Calculations
33%
Correlation Function
33%
Charge Redistribution
33%
Binding Energy
33%
Superoxide Ion
33%
Electronic Charge
33%
Adsorption Sites
33%
Adsorption Energy
33%
Singlet State
33%
Adsorbed Species
33%
Bridge Position
33%
O Adsorption
33%
Adsorption Orientation
33%
Molecular Adsorption
33%
Hartree-Fock Exchange
33%
Exchange Functional
33%
Energy Gain
33%
B3PW
33%
Molecule Dissociation
33%
Chemistry
Density Functional Theory
100%
Dioxygen
100%
Adsorption Energy
50%
Ab Initio Calculation
50%
Energetics
50%
Molecular Surface
50%
Singlet State
50%
Molecular Adsorption
50%
Titanium Oxide
50%
Binding Energy
50%
Titanium Dioxide
50%
Surface Oxygen
50%
formation
50%
electronics
50%
Material Science
Surface (Surface Science)
100%
Density
100%
Ab Initio Calculation
25%
Molecular Adsorption
25%
Titanium Dioxide
25%
Titanium Oxide
25%
Peroxide
25%
Physics
Density Functional Theory
100%
Energetics
50%
Binding Energy
50%
Chemical Engineering
Molecular Oxygen
100%
Titanium Oxide
50%
Titanium Dioxide
50%