Strategic tailored design of electrocatalysts for environmental remediation based on density functional theory (DFT) and microkinetic modeling

Keyphrases

• Charge Transfer Process 25%
• Climate Change Mitigation 25%
• Density Functional Calculations 100%
• Electroactive Species 25%
• Electrocatalyses 25%
• Electrocatalysis 25%
• Electrocatalyst 100%
• Electrocatalytic Material 25%
• Electrochemical Process 25%
• Environmental Electrochemistry 25%
• Environmental Remediation 100%
• High Technology 25%
• Hypothesis-driven 25%
• Materials Discovery 25%
• Microkinetic Modeling 100%
• Synthetic Approaches 25%
• Tailored Design 100%
• Tailored Synthesis 25%
• Technology Readiness 25%
• Theoretical Modeling 25%
• Trial-and-error 25%
• Water-energy Nexus 25%

Engineering

• Climate Change 25%
• Climatic Change 25%
• Electrocatalysts 100%
• Electrochemical Process 25%
• Engineering 25%
• High Technology 25%
• Remediation 100%
• Technology Readiness Level 25%
• Transfer Process 25%
• Water-Energy Nexus 25%

Material Science

• Density 100%
• Electrocatalysis 25%
• Electrocatalysts 100%
• Theoretical Modeling 25%
• Transfer Process 25%