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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |