First-principles mechanistic insights into the hydrogen evolution reaction on Ni₂P electrocatalyst in Alkaline medium

Keyphrases

• First-principles 100%
• Mechanistic Insight 100%
• Hydrogen Evolution Reaction 100%
• Electrocatalyst 100%
• Alkaline Media 100%
• Ni2P 100%
• Binding Energy 14%
• Surface Structure 14%
• Electronic Properties 14%
• Catalyst Surface 14%
• Density Functional Calculations 14%
• Surface Sites 14%
• Gibbs Free Energy 14%
• Hollow 14%
• H Atoms 14%
• Surface Modification 14%
• Alkaline Condition 14%
• Charge Transfer 14%
• Dispersion-corrected Density Functional Theory (DFT-D) 14%
• Water Adsorption 14%
• Hydrogen Generation 14%
• Volmer 14%
• Activation Energy Barrier 14%
• Sluggish Kinetics 14%
• Hydrogen Adsorption 14%
• Nickel Phosphide 14%
• Hydrogen Evolution Reaction Activity 14%
• High Activation Energy 14%
• Water Dissociation 14%
• Electrocatalytic 14%
• Ni Active Sites 14%
• Surface Tuning 14%
• Transition Metal Doping 14%

Chemical Engineering

• Transition Metal 100%
• Gibbs Free Energy 100%

Material Science

• Hydrogen Evolution 100%
• Density 20%
• Transition Metal 20%
• Surface Structure 20%
• Activation Energy 20%
• Electronic Property 20%