A DFT screening of transition metal single-atom catalyst anchored on Janus WSSe basal plane for highly efficient carbon dioxide reduction reaction
Pingji Ge, Yinglun Liu, Honglei Liu, Akang Sun, Hongxia Yan, Yanwen Zhang, Guixian Ge, Jueming Yang, Xiaodong Yang, Xiaodong Yang
Topics & Concepts
CatalysisElectrocatalystTransition metalChemistryJanusElectrochemistryRedoxAtom (system on chip)Ab initioDensity functional theoryInorganic chemistryPhysical chemistryMaterials scienceComputational chemistryNanotechnologyElectrodeOrganic chemistryEmbedded systemComputer scienceCO2 Reduction Techniques and CatalystsAdvanced Thermoelectric Materials and DevicesElectrocatalysts for Energy Conversion