Computational study of band gap and structural effect of doped BiVO4
Density functional theory calculation using Quantum Espresso package was conducted to study band gap and structural effect of BiVO4 by doping elements like Zr, Mo and S, to substitute Bi, V and O. Band gap of BiVO4 has been reduced from 2.25 to 1.54 eV by ~8% S2- substitution with O2-. Distance betw...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2024-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2024/55/e3sconf_geotech2024_03017.pdf |