CO2 adsorption and dissociation on single and double iron atomic molybdenum disulfide catalysts: A DFT study
Chongchong Wu, Weijie Yang, Jingyi Wang, Ranjani Kannaiyan, Ian D. Gates
Topics & Concepts
CatalysisDissociation (chemistry)AdsorptionMolybdenum disulfideVacancy defectChemistryMolybdenumAtom (system on chip)Density functional theoryDopingBond-dissociation energyInorganic chemistryPhysical chemistryMaterials scienceCrystallographyComputational chemistryOptoelectronicsComputer scienceEmbedded systemBiochemistryMetallurgyAdvanced Photocatalysis TechniquesMXene and MAX Phase MaterialsCO2 Reduction Techniques and Catalysts