DFT study on doping effect of different transition metals on MoS2 for enhancing the formation of S vacancies
Qiang Wang, Yifei Wang, Zhenhua Li, Xinbin Ma
Topics & Concepts
DopingTransition metalMaterials scienceDensity functional theoryChemical physicsCondensed matter physicsChemistryPhysical chemistryComputational chemistryOptoelectronicsPhysicsCatalysisOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsCatalysis and Hydrodesulfurization Studies