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Computational Design of Novel Hydrogen-Doped, Oxygen-Deficient Monoclinic Zirconia with Excellent Optical Absorption and Electronic Properties
Monoclinic ZrO(2) has recently emerged as a new highly efficient material for the photovoltaic and photocatalytic applications. Herein, first-principles calculations were carried out to understand how Hydrogen doping can affect the electronic structure and optical properties of the material. The eff...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6629681/ https://www.ncbi.nlm.nih.gov/pubmed/31308464 http://dx.doi.org/10.1038/s41598-019-46778-5 |