Modification of metals and ligands in two-dimensional conjugated metal-organic frameworks for CO2 electroreduction: A combined density functional theory and machine learning study
Guanru Xing, Shize Liu, Guang‐Yan Sun, Jing‐yao Liu
Topics & Concepts
Conjugated systemDensity functional theoryElectrochemistryMetal-organic frameworkCarbon dioxideChemistryMetalElectrochemical reduction of carbon dioxideInorganic chemistryCombinatorial chemistryOrganic chemistryCatalysisComputational chemistryElectrodePhysical chemistryPolymerCarbon monoxideAdsorptionCO2 Reduction Techniques and CatalystsAdvanced Thermoelectric Materials and DevicesIonic liquids properties and applications