Ab Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS2 Monolayer Functionalized with 3d Transition Metals

Gangwar, R.Pandey, D.Kancharlapalli, S.Ghanty, T. K.2022-04-272022-04-272021Journal of Physical Chemistry-C, 2021. Vol. 125 (2): pp. 1493-1508http://hdl.handle.net/123456789/244385882 bytestext/htmlenAb Initio StudyAdsorptionFission Gas Atoms Xe and KrMoS2 Monolayer3d Transition MetalsAb Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS2 Monolayer Functionalized with 3d Transition MetalsArticle