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Computational studies on functionalized Janus MXenes MM′CT(2), (M, M′ = Zr, Ti, Hf, M ≠ M′; T = –O, –F, –OH): photoelectronic properties and potential photocatalytic activities

Motivated by the successful synthesis of Janus monolayers of transition metal dichalcogenides (i.e., MoSSe), we computationally investigated the structural, electronic, optical, and transport properties of functionalized Janus MXenes, namely MM′CT(2) (M, M′ = Zr, Ti, Hf, M ≠ M′, T = –O, –F, –OH). Th...

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Detalles Bibliográficos
Autores principales:	Xiong, Kuangwei, Cheng, Ziqiang, Liu, Jianpeng, Liu, Peng-Fei, Zi, Zhenfa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2023
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9997450/ https://www.ncbi.nlm.nih.gov/pubmed/36909774 http://dx.doi.org/10.1039/d3ra00303e

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