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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2017
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Materias: | |
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 |