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Functional Group Effects on the Photoelectronic Properties of MXene (Sc(2)CT(2), T = O, F, OH) and Their Possible Photocatalytic Activities

In view of the diverse functional groups left on the MXene during the etching process, we computationally investigated the effects of surface-group types on the structural, electronic and optical properties of Sc(2)CT(2) (T = -O, -OH, -F) MXenes. For all geometries of the Sc(2)CT(2) MXenes, the geom...

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Detalles Bibliográficos
Autores principales:	Xiong, Kuangwei, Wang, Peihong, Yang, Guang, Liu, Zhongfei, Zhang, Haijun, Jin, Shaowei, Xu, Xin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5678094/ https://www.ncbi.nlm.nih.gov/pubmed/29118368 http://dx.doi.org/10.1038/s41598-017-15233-8

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