Strategic tailored design of electrocatalysts for environmental remediation based on density functional theory (DFT) and microkinetic modeling
Gabriel Antonio Cerrón-Calle, Thomas P. Senftle, Sergi Garcia‐Segura
Topics & Concepts
ElectrocatalystNexus (standard)NanotechnologyBiochemical engineeringDensity functional theoryComputer scienceElectrochemistryMaterials scienceChemistryEngineeringElectrodePhysical chemistryEmbedded systemComputational chemistryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionElectrochemical Analysis and Applications