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Adsorption of SF6 decomposition gases (SO2 and SOF2) onto pristine and transition metal modified WSe2 monolayers: A systematic DFT study

Bing Zhang, Xinchun Li, Kun Xie, Chencheng Hu, Dongbin Wang, Long Lin, Jiajia Gao

2024Computational Materials Science16 citationsDOI

Topics & Concepts

MonolayerAdsorptionTransition metalDecompositionMaterials scienceMetalChemistryThermodynamicsChemical physicsPhysical chemistryNanotechnologyMetallurgyOrganic chemistryPhysicsCatalysis2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications
Adsorption of SF6 decomposition gases (SO2 and SOF2) onto pristine and transition metal modified WSe2 monolayers: A systematic DFT study | Litcius