First-Principles Study on the Half-Metallicity of New MXene Materials Nd(2)NT(2) (T = OH, O, S, F, Cl, and Br)

This work systematically studied the structure, magnetic and electronic properties of the MXene materials Nd(2)N and Nd(2)NT(2) (T = OH, O, S, F, Cl, and Br) via first-principles calculations based on density functional theory. Results showed that Nd(2)NT(2) (T = OH, O, S, F, Cl, and Br) have half-m...

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Detalles Bibliográficos
Autores principales: Yang, Kun, Ren, Shuning, Huang, Haishen, Wu, Bo, Shen, Guangxian, Zhou, Tingyan, Liu, Xiaoying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8866706/
https://www.ncbi.nlm.nih.gov/pubmed/35223780
http://dx.doi.org/10.3389/fchem.2021.832449

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8866706/
https://www.ncbi.nlm.nih.gov/pubmed/35223780
http://dx.doi.org/10.3389/fchem.2021.832449

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