Bridge sulfur vacancies in MoS2 catalyst for reverse water gas shift: A first-principles study
Hai‐Yan Su, Keju Sun, Jin‐Xun Liu, Xiufang Ma, Minzhen Jian, Chenghua Sun, Yongjun Xu, Huibin Yin, Wei‐Xue Li
Topics & Concepts
CatalysisVacancy defectTransition metalDensity functional theoryWater-gas shift reactionChemistryRedoxDesorptionSelectivityChemical physicsTransition stateMaterials scienceAdsorptionNanotechnologyPhotochemistryChemical engineeringInorganic chemistryComputational chemistryPhysical chemistryCrystallographyOrganic chemistryEngineeringCatalysis and Hydrodesulfurization StudiesMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques