Enhanced optical and thermoelectric properties of Cu<sub>3</sub>Nb<sub>1−<i>X</i></sub>V<sub><i>X</i></sub>S<sub>4</sub> through chemical substitution: a DFT approach
This study presents theoretical investigations of a 2 × 2 × 2 supercell structure of Cu 3 Nb 1− X V X S 4 ( X = 0.00, 0.25, 0.50, 0.75, 1.00) for optoelectronic and thermoelectric applications within DFT.
Authors
- Lalhum Hima
- Bernard Lalroliana
- Lalmuan Chhana
- Shivraj Gurung
- Lalrinthara Pachuau
- L. Celestine
- P. Raics (ORCID: https://orcid.org/0000-0002-3803-8923)
Institutions
- Mizoram University (IN)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2024-12-26
- DOI
- https://doi.org/10.1039/d4nj04230a
- Citations
- 2
- Primary Topic
- Chalcogenide Semiconductor Thin Films
- Type
- article
- Field-Weighted Citation Impact
- 0.42