Insights into the effects of single Mo vacancy sites on the adsorption and dissociation of CO₂ and H₂O over the tertiary N-doped MoS₂ monolayers

Engineering & Materials Science

• Vacancies 100%
• Monolayers 97%
• Atoms 76%
• Adsorption 71%
• Energy barriers 56%
• Density functional theory 55%
• Doping (additives) 41%
• Free energy 22%
• Molybdenum 21%
• Molecular dynamics 20%
• Electrons 18%
• Chemical reactions 18%
• Molecules 18%
• Nitrogen 17%
• Temperature 14%

Chemical Compounds

• Monolayer 55%
• Dissociation 53%
• Adsorption 36%
• Energy Barrier 35%
• Density Functional Theory 22%
• Electron Configuration 22%
• Molybdenum Disulfide 22%
• Physical Adsorption 20%
• Doping Material 16%
• Fuel 15%
• Gibbs Free Energy 13%
• Molecular Dynamics 13%
• Nitrogen 11%
• Ambient Reaction Temperature 10%
• Purity 9%
• Molecule 6%

Physics & Astronomy

• dissociation 60%
• adsorption 56%
• atoms 37%
• density functional theory 28%
• molybdenum disulfides 23%
• electron distribution 20%
• ambient temperature 18%
• chemical reactions 16%
• free energy 15%
• interactions 14%
• nitrogen 13%
• molecular dynamics 13%
• thresholds 11%
• room temperature 10%
• molecules 9%
• energy 5%