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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6031609/ https://www.ncbi.nlm.nih.gov/pubmed/29973657 http://dx.doi.org/10.1038/s41598-018-28522-7 |