Effect of Al addition on the yellowness of V-doped t-ZrO2: A first-principles study
Source abstract
Abstract
Effect of Al addition on the yellowness of V-doped t-ZrO2 -A first-principles study-Absorption coefficient Supercell used in the first-principles energy band calculations In t-ZrO 2 , the HSE06 functional better reproduces the experimental band gap compared to GGA. Doping V results in the formation of impurity states within the band gap of ZrO 2 , due to the V3d orbitals.The bright yellow color of (V, Al)-doped t-ZrO, as experimentally observed, is due to the formation of oxygen vacancies.Conclusion
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Research context
OpenAlex topics: Pigment Synthesis and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Advanced Course of Creative Engineering, National Institute of Technology, Kitakyushu College
Department of Interdisciplinary Engineering, Faculty of Engineering, Kyushu University
Department of Creative Engineering, National Institute of Technology, Kitakyushu College
Center for Basic Research on Materials, National Institute for Materials Science (NIMS)
Department of Advanced Materials Science and Engineering, Faculty of Engineering Science, Kyushu University
Department of Collaborative Interdisciplinary Engineering Sciences, Faculty of Engineering Science, Kyushu University
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