Theoretical Analysis of Magnetic Coupling in the Ti(2)C Bare MXene

[Image: see text] The nature of the electronic ground state of the Ti(2)C MXene is unambiguously determined by making use of density functional theory-based calculations including hybrid functionals together with a stringent computational setup providing numerically converged results up to 1 meV. Al...

Descripción completa

Detalles Bibliográficos
Autores principales: García-Romeral, Néstor, Morales-García, Ángel, Viñes, Francesc, Moreira, Ibério de P. R., Illas, Francesc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969871/
https://www.ncbi.nlm.nih.gov/pubmed/36865991
http://dx.doi.org/10.1021/acs.jpcc.2c07609

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969871/
https://www.ncbi.nlm.nih.gov/pubmed/36865991
http://dx.doi.org/10.1021/acs.jpcc.2c07609

Ejemplares similares