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Tweaking the Electronic and Optical Properties of α-MoO(3) by Sulphur and Selenium Doping – a Density Functional Theory Study
First-principles calculations were carried out to understand how anionic isovalent-atom doping affects the electronic structures and optical properties of α-MoO(3). The effects of the sulphur and selenium doping at the three unique oxygen sites (O(t), O(a), and O(t)) of α-MoO(3) were examined. We fo...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6031609/ https://ncbi.nlm.nih.gov/pubmed/29973657 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-28522-7 |
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