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Identifying the Atomic Layer Stacking of Mo(2)C MXene by Probe Molecule Adsorption

[Image: see text] A density functional theory study is presented here aimed at investigating whether the atomic stacking on the new family of two-dimensional MXene materials has an influence on their adsorption properties and whether these properties can provide information about this structural fea...

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Detalles Bibliográficos
Autores principales: Jurado, Anabel, Morales-García, Ángel, Viñes, Francesc, Illas, Francesc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8667035/
https://www.ncbi.nlm.nih.gov/pubmed/34917228
http://dx.doi.org/10.1021/acs.jpcc.1c07577