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First-Principles Study on the Structural, Electronic, and Lithium Storage Properties of Ti(3)C(2)T(2) (T = O, F, H, OH) MXene

[Image: see text] The structures of bare Ti(3)C(2) and functionalized Ti(3)C(2)T(2) (T = O, F, H, OH) MXenes were constructed, and the effect of surface functional groups T(2) (T = O, F, H, OH) on the structural, electronic, and lithium storage properties were investigated by first-principles calcul...

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Detalles Bibliográficos
Autores principales:	Li, Hui, Li, Anping, Zhang, Dandan, Wu, Qianpeng, Mao, Peng, Qiu, Yixuan, Zhao, Zhiguo, Yu, Pengfei, Su, Xinghua, Bai, Min
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9647848/ https://www.ncbi.nlm.nih.gov/pubmed/36385825 http://dx.doi.org/10.1021/acsomega.2c05913

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