New Insight into the Mechanism of the Hydrogen Evolution Reaction on MoP(001) from First Principles

Engineering & Materials Science

• Hydrogen evolution reaction 100%
• Catalysts 33%
• Activation energy 24%
• Atoms 24%
• Energy barriers 24%
• Acids 21%
• Molybdenum 18%
• Doping (additives) 17%
• Density functional theory 11%
• Transition metals 11%
• Catalyst activity 9%
• Surface defects 9%
• Thermodynamics 6%
• Hydrogen 6%
• Defects 5%
• Metals 5%
• Water 4%

Chemical Compounds

• Hydrogen 28%
• Neutral Condition 17%
• Catalyst 16%
• Reaction Activation Energy 16%
• Energy Barrier 15%
• Surface 15%
• Surface Defect 9%
• Acid 8%
• Rate-Determining Step 7%
• Hydrogen Atom 6%
• Transition Element 5%
• Density Functional Theory 4%
• Energy 3%
• Metal 3%
• pH Value 3%