The WIEN2k code-based simulation provides insight for Rb2NaCoI6 lead-free halide double perovskite (HDP) in energy conversion applications. HDPs are widely studied because of their great importance for electronic device realization. From electronic structure, it was found direct band gap semiconductors with an energy band gap of 0.755 eV. We also investigated its optical properties to see its applications in photovoltaic device. Its thermoelectric potential was calculated through the BoltzTraP code, revealing that it can be a suitable candidate for thermoelectric devices, well-promising for n-type doping. Furthermore, thermodynamic parameters were evaluated to ascertain its stability under heating in connection with the different renewable energy applications.
| Published in | Abstract Book of the National Conference on Advances in Basic Science & Technology |
| Page(s) | 66-66 |
| Creative Commons |
This is an Open Access abstract, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2025. Published by Science Publishing Group |
Electronic Properties, Optical Properties, Thermal Stability, Thermodynamic Stability, Renewable Energy
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