Efficient CO2 capture and in-situ electrocatalytic conversion on MgO surface by metal single-atom engineering: A comprehensive DFT study
Jing Yang, Yi Xiao, Guo-yu-lin Gu, Jun Liu, Tao Wang, Fen Qiao, Junfeng Wang, Junfeng Wang
Topics & Concepts
ElectrochemistryAdsorptionDensity functional theoryFlue gasAtom (system on chip)MetalSelectivityCatalysisElectrochemical energy conversionMaterials scienceChemical engineeringChemistryIn situInorganic chemistryPhysical chemistryElectrodeComputational chemistryMetallurgyOrganic chemistryEngineeringComputer scienceEmbedded systemCO2 Reduction Techniques and CatalystsCarbon Dioxide Capture TechnologiesAmmonia Synthesis and Nitrogen Reduction