Keyphrases
Classical Force Field
100%
Field Approach
100%
Density Functional Theory
100%
Electrocatalysis
100%
Electrocatalyses
100%
Electrode-electrolyte Interface
100%
Transition State
100%
Electrocatalytic
60%
Propanol
60%
Electroreduction
40%
Solvation Effect
40%
Reaction Barrier
40%
Reaction Rate
40%
Molecular Dynamics Simulation
40%
Solvation Free Energy
40%
Electrolyte
40%
Local Arrangements
40%
Surface Binding
40%
Hydrogen Oxidation
40%
Manufacturing Process
40%
Review Criteria
20%
Optimal Performance
20%
Interfacial Water Structure
20%
Computational Methods
20%
Vacuum Interface
20%
Reduction Reaction
20%
Material Conditions
20%
Water Molecule
20%
Student Training
20%
Electrolyte Ions
20%
Theoretical Method
20%
Educational Outreach
20%
Mentoring Undergraduates
20%
Electrocatalytic Process
20%
Catalytic Materials
20%
Rational Design
20%
Molecular Modeling
20%
Electronic Structure Modeling
20%
Solution Phase
20%
Undergraduate Students
20%
Mathematical Methods
20%
Improved Catalysts
20%
Free Energy
20%
Molecular Solution
20%
Impact Review
20%
Best Combination
20%
Renewable Energy
20%
Sustainable Energy Sources
20%
Single Crystal
20%
Electrocatalytic Reaction
20%
Fuel Cell
20%
Dehydration
20%
Thermodynamic Work
20%
Liquid Solvents
20%
Theoretical Description
20%
Electrochemical Process
20%
Electrochemical Technology
20%
Fuel Biomass
20%
Product State
20%
Double-layer Capacitance
20%
Solar Wind
20%
Product Selectivity
20%
Classical Molecular Dynamics Simulations
20%
Double Layer
20%
Educational Level
20%
Peer-reviewed Publication
20%
Atomistic Molecular Dynamics Simulations
20%
Operating Conditions
20%
Pt Electrode
20%
Efficiency Rate
20%
Engineering
Electrolyte Interface
100%
Reactant
100%
Electroreduction
66%
Double Layer
66%
Simulation Method
66%
Solvation Effect
66%
Manufacturing Process
66%
Optimal Performance
33%
Surrounding Fluid
33%
Energy Source
33%
Energetics
33%
Hydroelectric Energy
33%
Fuel Cell
33%
Electrochemical Process
33%
Electrolyte Ion
33%
Pt Electrode
33%
Product State
33%
Chemistry
Density Functional Theory
100%
Electrode-Electrolyte Interface
100%
Electrocatalysis
100%
Transition State
100%
Solvation
80%
Hydrogen
40%
Electrochemistry
40%
Energetics
20%
Electronic State
20%
Electrocatalytic Reaction
20%
Molecular Dynamics
20%
Fuel Cell
20%
Single Crystalline Solid
20%