Keyphrases
Transport Model
100%
Density Functional Theory
100%
Mechanistic Insight
100%
Theory Model
100%
CO2 Electrochemical Reduction
100%
CO2 Reduction Reaction (CO2RR)
66%
Elementary Reaction
66%
Multiscale Simulation
33%
Reaction Dynamics
33%
Electrical Energy
33%
Energy Pathways
33%
Partial Pressure of CO2 (pCO2)
33%
Species List
33%
Species Transport
33%
Reaction Pathway
33%
Current Density
33%
Density Functional Calculations
33%
Quantum Chemical Calculations
33%
Product Distribution
33%
Rate-limiting Step
33%
Rate Coefficients
33%
Free Energy
33%
Reaction Rate
33%
Physical Phenomena
33%
Negative Potential
33%
Activation Free Energy
33%
Renewable Sources
33%
Continuum Model
33%
(110) Surface
33%
CO2-to-fuel
33%
CO2 to Chemicals
33%
Adsorbed Species
33%
Co-transformation
33%
Microkinetic Model
33%
Ab Initio Simulations
33%
Multi-scale Framework
33%
Cathode Reaction
33%
Cathode Voltage
33%
Cathode Polarization
33%
Ag(110)
33%
Simulation-based
33%
Engineering
Multiscale
100%
Energy Engineering
100%
Elementary Reaction
100%
Carbon Dioxide Reduction
100%
Electrical Energy
50%
Good Agreement
50%
Continuum Model
50%
Experimental Observation
50%
Limiting Step
50%
Renewable Source
50%
Physical Phenomena
50%
Partial Pressure
50%
Cathode Voltage
50%
Product Distribution
50%
Chemistry
Density Functional Theory
100%
Electrochemical Reduction
100%
Carbon Dioxide
100%
Transport Theory
100%
Carbon Dioxide Reduction
40%
Reaction Dynamics
20%
Gibbs Free Energy
20%
Quantum Chemical Calculations
20%
Product Distribution
20%
Free Energy of Activation
20%
Current Density
20%
Partial Pressure
20%
Earth and Planetary Sciences
Density Functional Theory
100%
Free Energy
100%
Current Density
50%
Physical Phenomena
50%
Partial Pressure
50%
Density Functional Theory
50%
Material Science
Density
100%
Electrochemical Reaction
100%
Carbon Dioxide
100%
Cathode
42%
Ab Initio Simulation
14%
Chemical Engineering
Carbon Dioxide Reduction
100%
Gibbs Free Energy
100%