Keyphrases
Density Functional Theory
100%
Hematite Fe2O3
100%
Benzene Adsorption
100%
Iron Oxide
50%
Adsorption Geometry
50%
Mineral Surface
50%
Benzene Molecule
50%
Hematite Surface
50%
Band Gap
25%
Electronic Structure
25%
Electronic Properties
25%
Magnetic Properties
25%
Physical Properties
25%
Processing Speed
25%
Adsorption
25%
Chemical Properties
25%
Covalent Bonding
25%
Magnetic Moment
25%
Electron Transfer
25%
Density Functional Calculations
25%
Accurate Method
25%
Atomic Structure
25%
Atomic Level
25%
Structure-property Relationships
25%
Van Der Waals Interaction
25%
Weak Hydrogen Bonds
25%
Surface Atom
25%
Electron Correlation Effects
25%
3d Electrons
25%
Conduction Band Edge
25%
Theoretical Method
25%
Valence Band
25%
DFT + U
25%
Nature of Matter
25%
Ionic Bond
25%
Vertical Geometry
25%
On-site Coulomb Repulsion
25%
Complex Metal Oxides
25%
Computer Processing
25%
Strong Electron Correlations
25%
Surface Atomic Structure
25%
Fe Atoms
25%
Material Science
Density
100%
Surface (Surface Science)
100%
Hematite
100%
Surface Structure
16%
Physical Property
16%
Chemical Property
16%
Electronic Property
16%
Atomic Structure
16%
Metal Oxide
16%
Magnetic Property
16%
Hydrogen Bonding
16%
Electron Transfer
16%
Energy Levels
16%