Keyphrases
Anatase TiO2
61%
Rutile
54%
Density Functional Theory
30%
Si(111)
29%
Density Functional Calculations
28%
Anatase
25%
Adsorption
19%
Electronic Properties
19%
Electronic Structure
18%
Oxygen Vacancy
16%
Scanning Tunneling Microscopy
15%
(001) Surface
14%
First-principles Study
14%
First-principles Calculations
13%
Rutile TiO2
12%
Adatoms
12%
First-principles
11%
Structural Properties
11%
Surface Structure
10%
Density Functional Study
10%
Ge(111)
10%
Excess Electron
9%
Anatase (101) Surface
9%
First-principles Molecular Dynamics
9%
(110) Surface
9%
Electronic States
9%
Atomic Structure
8%
Au(111)
8%
Time-dependent Density Functional Theory
8%
Ab Initio Molecular Dynamics
8%
Adsorption Energy
8%
Surface States
8%
(101) Surface
8%
Absorption Spectra
8%
First-principles Molecular Dynamics Simulations
8%
Water Interface
7%
Water Adsorption
7%
Oxygen Evolution Reaction
7%
TiO2 Surface
7%
Excited States
7%
Water Dissociation
6%
Water Molecule
6%
Formic Acid
6%
Band Gap
6%
Ab Initio Molecular Dynamics Simulation
6%
Surface Oxygen Vacancy
6%
TiO2 Nanoparticles
6%
Generalized Gradient Approximation
6%
Conduction Band
6%
Energy Barrier
6%
Material Science
Density
100%
Titanium Dioxide
97%
Titanium Oxide
26%
Oxygen Vacancy
23%
Electronic Structure
23%
Monolayers
22%
Electronic Property
22%
Oxidation Reaction
17%
Silicon
13%
Oxide Compound
12%
Desorption
12%
Surface Structure
11%
Nanoparticle
10%
Atomic Structure
9%
Oxygen Evolution
8%
Absorption Spectrum
7%
Polymorphism
7%
Hydrogen Bonding
7%
Oxide Surface
6%
Anisotropy
5%
Optical Property
5%
Nanocrystalline Material
5%
Magnesium Oxide
5%
Surface Energy
5%
Adsorbate
5%
Electron Transfer
5%
Low-Energy Electron Diffraction
5%
Photocatalysis
5%
Dye-Sensitized Solar Cell
5%
Gallium Arsenide
5%
Chemistry
Titanium Dioxide
59%
Density Functional Theory
37%
First Principle
34%
Molecular Dynamics
24%
Electronic State
17%
Energetics
12%
Hydrogen
12%
Structure
11%
Monolayer
11%
Scanning Tunneling Microscopy
9%
Silicon
8%
Electronic Property
8%
Titanium Oxide
7%
Oxygen Vacancy
6%
Adatoms
6%
Surface State
6%
Absorption Spectrum
6%
Time-Dependent Density Functional Theory
6%
Density Functional Theory Study
6%
Nanoparticle
5%
Hydrogenase
5%
Density of State
5%
Hydrogen Production
5%
Chemistry
5%
Optical Property
5%
