Pathways for Electron Transfer at MgO-Water Interfaces from Ab Initio Molecular Dynamics

Engineering & Materials Science

• Molecular dynamics 100%
• Electrons 89%
• Water 48%
• Conduction bands 37%
• Oxides 28%
• Hydrogen 26%
• Energy gap 25%
• Radiolysis 18%
• Density functional theory 16%
• Oxidation-Reduction 14%
• Impurities 10%
• Chemical activation 9%
• Trajectories 7%
• Defects 7%
• Metals 7%

Chemical Compounds

• Molecular Dynamics 65%
• Electron Transfer 61%
• Electron Particle 48%
• Conduction Band 38%
• Band Gap 26%
• Energy 25%
• Oxide 19%
• Radiolysis 18%
• Shape 11%
• Simulation 11%
• Density Functional Theory 11%
• Hydrogen 9%
• Metal 8%

Medicine & Life Sciences

• Molecular Dynamics Simulation 99%
• Electrons 71%
• Water 59%
• Oxides 40%
• Density Functional Theory 19%
• Hydrogen 12%
• Oxidation-Reduction 10%
• Metals 9%
• Kinetics 8%