Computational evaluation of 2D metal-organic frameworks with TMX4-centers (X = O, S and Se) for CO2 electroreduction
Guanru Xing, Shize Liu, Jing‐yao Liu
Topics & Concepts
ElectrochemistryDensity functional theoryRedoxCatalysisDenticityTransition metalConjugated systemChemistryMetal-organic frameworkMetalSelectivityLimitingInorganic chemistryMaterials sciencePhysical chemistryComputational chemistryElectrodeOrganic chemistryAdsorptionEngineeringMechanical engineeringPolymerCO2 Reduction Techniques and CatalystsMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework Applications