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Computational studies on functionalized Janus MXenes MM′CT(2), (M, M′ = Zr, Ti, Hf, M ≠ M′; T = –O, –F, –OH): photoelectronic properties and potential photocatalytic activities
Motivated by the successful synthesis of Janus monolayers of transition metal dichalcogenides (i.e., MoSSe), we computationally investigated the structural, electronic, optical, and transport properties of functionalized Janus MXenes, namely MM′CT(2) (M, M′ = Zr, Ti, Hf, M ≠ M′, T = –O, –F, –OH). Th...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9997450/ https://www.ncbi.nlm.nih.gov/pubmed/36909774 http://dx.doi.org/10.1039/d3ra00303e |