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Strain-Induced Band Modulation, Work Function, and QTAIM Analysis of Surface O-Functionalized Ti(2)C MXene

[Image: see text] Functionalized MXenes have wide applications in the fields of gas sensors, thermoelectric materials, and hydrogen storage. Strain-induced band engineering and the work function (WF) of Ti(2)CO(2) MXene are investigated theoretically. The calculations reveal that Ti(2)CO(2) MXenes a...

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Detalles Bibliográficos
Autores principales:	Li, Xiao-Hong, Zhang, Rui-Zhou, Cui, Hong-Ling
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7391937/ https://www.ncbi.nlm.nih.gov/pubmed/32743217 http://dx.doi.org/10.1021/acsomega.0c02215

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