{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["5(26)"],"submitter":["Ho TH"],"pubmed_abstract":["The source of induced magnetism in the MoS<sub>2</sub> monolayer induced by transition metal (Fe/Ni) collision is investigated using nonadiabatic ab inito molecular dynamics simulations that take into account high-spin and low-spin energy states during trajectory integration. By considering various metal firing angles, a strong interaction between the Fe/Ni atom and the MoS<sub>2</sub> surface can be observed because of enormous increase in the kinetic energy of the metal atom. When firing along the Mo-S bond, the Fe bullet is pulled more strongly than when firing along the S-Mo-S bisector. Spin polarization of MoS<sub>2</sub> is gradually induced when Fe approaches the surface and eliminated when Fe roams around a potential energy trap on the MoS<sub>2</sub> layer. We observe that there i"],"journal":["ACS omega"],"pagination":["16139-16148"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC7346258"],"repository":["biostudies-literature"],"pubmed_title":["Induced Magnetism of the MoS<sub>2</sub> Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic <i>Ab Initio</i> Collision Dynamics Investigation."],"pmcid":["PMC7346258"],"pubmed_authors":["Le HM","Hoang HT","Ho TH","Dong HC","Kawazoe Y"],"additional_accession":[]},"is_claimable":false,"name":"Induced Magnetism of the MoS<sub>2</sub> Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic <i>Ab Initio</i> Collision Dynamics Investigation.","description":"The source of induced magnetism in the MoS<sub>2</sub> monolayer induced by transition metal (Fe/Ni) collision is investigated using nonadiabatic ab inito molecular dynamics simulations that take into account high-spin and low-spin energy states during trajectory integration. By considering various metal firing angles, a strong interaction between the Fe/Ni atom and the MoS<sub>2</sub> surface can be observed because of enormous increase in the kinetic energy of the metal atom. When firing along the Mo-S bond, the Fe bullet is pulled more strongly than when firing along the S-Mo-S bisector. Spin polarization of MoS<sub>2</sub> is gradually induced when Fe approaches the surface and eliminated when Fe roams around a potential energy trap on the MoS<sub>2</sub> layer. We observe that there i","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 Jul","modification":"2025-04-05T13:48:23.33Z","creation":"2025-04-05T13:48:23.33Z"},"accession":"S-EPMC7346258","cross_references":{"pubmed":["32656436"],"doi":["10.1021/acsomega.0c01740"]}}