Keyphrases
Hydrogen Peroxide
100%
CO2 Splitting
100%
First Principles Thermodynamics
100%
Thermodynamic Framework
100%
Thermal Reduction
100%
Material Design
50%
Oxides
50%
Computational Approach
50%
Solid State
50%
First-principles
50%
Thermodynamics
50%
Density Functional Theory
50%
Redox
50%
Oxide-based
50%
Prediction Accuracy
50%
Computational Methodology
50%
Metal Oxide
50%
Thermal Gas
50%
Thermodynamic Properties
50%
Equilibrium Thermodynamics
50%
Density Functional Theory (DFT) Calculations
50%
Higher Order Thermodynamics
50%
Oxide Reduction
50%
Pressure Regimes
50%
State Entropy
50%
Reduced Pressure
50%
Temperature Regime
50%
Carbon Dioxide Splitting
50%
Material Science
Density
100%
Oxide Compound
100%
Carbon Dioxide
100%
Metal Oxide
50%
Materials Design
50%
Chemistry
First Principle
100%
Carbon Dioxide
100%
Density Functional Theory
33%
Chemistry
33%
Enthalpy
33%
Metal Oxide
33%
Density Functional Theory
33%
Engineering
Driving Force
100%
Accurate Prediction
100%
Thermodynamic Framework
100%
Physics
First Principle
100%
Carbon Dioxide
100%
Density Functional Theory
33%
Enthalpy
33%
Density Functional Theory
33%