Induced Magnetism of the MoS(2) Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

[Image: see text] The source of induced magnetism in the MoS(2) 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...

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Detalles Bibliográficos
Autores principales: Ho, Thi H., Hoang, Hieu T., Dong, Hieu C., Kawazoe, Yoshiyuki, Le, Hung M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7346258/
https://www.ncbi.nlm.nih.gov/pubmed/32656436
http://dx.doi.org/10.1021/acsomega.0c01740

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7346258/
https://www.ncbi.nlm.nih.gov/pubmed/32656436
http://dx.doi.org/10.1021/acsomega.0c01740

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