Material Science
Density
100%
Oxide Compound
30%
Carbon Dioxide
24%
Electronic Structure
20%
Transition Metal
18%
Energy Density
16%
Oxidation Reaction
13%
Transition Metal Oxide
10%
Doping (Additives)
10%
Thermal Barrier Coatings
9%
Monolayers
9%
Carrier Concentration
8%
Photocatalysis
8%
Oxygen Vacancy
7%
Photocatalysts
7%
Desorption
7%
Nanoparticle
7%
Aluminum
6%
Silicon
6%
Hot Carrier
6%
Metal Surface
6%
Hydride
6%
ZnO
6%
Lithium
6%
Solar Cell
6%
Activation Energy
5%
Film
5%
Oxygen Evolution
5%
Thin Films
5%
Surface Energy
5%
Electron Transfer
5%
Hematite
5%
Mechanical Strength
5%
Chemistry
Density Functional Theory
46%
First Principle
24%
Configuration Interaction
19%
Electronic State
17%
Kinetic Energy
17%
Molecular Dynamics
17%
Carbon Dioxide Reduction
14%
Pseudopotential
12%
Transition Element
11%
Carbon Dioxide
10%
Ground State
10%
Hydrogen
10%
Wave Function
10%
Electrocatalyst
9%
Dissociation Energy
9%
Photoelectrode
8%
Excited State
7%
Desorption
7%
Energetics
7%
Generalized Valence Bond Theory
7%
Transition State
7%
Electron Density
6%
Potential Energy Surface
6%
Quantum Chemistry
6%
Donor
5%
Dihydropyridine
5%
Hydrogen Atom
5%
Configuration Interaction Methods
5%
Quantum Mechanics
5%
Keyphrases
First-principles
11%
Si(111)
8%
Density Functional Theory
7%
CO2 Reduction Reaction (CO2RR)
7%
Orbital-free Density Functional Theory
6%
