Keyphrases
Molybdenite
100%
Adsorption
100%
Dissociation
100%
MoS2 Monolayer
100%
Vacant Sites
100%
Mo Vacancies
100%
N-doped MoS2
100%
N Atoms
33%
High Efficiency
16%
Density Functional Theory
16%
Previous Literature
16%
Room Temperature
16%
C4F7N/CO2
16%
Adsorption Behavior
16%
Sustainable Production
16%
Ambient Temperature
16%
Density Functional Calculations
16%
Formaldehyde
16%
Ab Initio Molecular Dynamics
16%
CO2 Molecule
16%
Chemical Reaction
16%
Promotion Effect
16%
Energy Barrier
16%
Electron Distribution
16%
Molecular Dissociation
16%
Adsorption Stability
16%
Nitrogen Doping
16%
Physical Adsorption
16%
N2 Molecule
16%
Monolayer Molybdenum Disulfide
16%
Catalytically Active Sites
16%
Molecular Dynamics Analysis
16%
CO2 Dissociation
16%
Climbing Image nudged Elastic Band
16%
Free Energy Barrier
16%
N Dopants
16%
H2 Dissociation
16%
Threshold Energy
16%
Adsorbed O2
16%
H Atoms
16%
H2O Molecule
16%
Chemistry
Carbon Dioxide
100%
Molybdenum Disulfide
100%
Monolayer
100%
Density Functional Theory
22%
Energy Barrier
22%
Purity
11%
Ambient Reaction Temperature
11%
Gibbs Free Energy
11%
Molecular Dynamics
11%
Electron Configuration
11%
Physical Adsorption
11%
Doping Material
11%
Material Science
Carbon Dioxide
100%
Monolayers
100%
Density
28%
Doping (Additives)
14%
Molybdenum
14%
Dynamic Analysis
14%