祝贺Nabeel的文章被选为 Nanomaterials 第16卷第10期的封面文章(Cover Article)
- 发布时间:
- 2026-05-30
- 文章标题:
- 祝贺Nabeel的文章被选为 Nanomaterials 第16卷第10期的封面文章(Cover Article)
- 内容:

祝贺Nabeel的文章被选为 Nanomaterials 第16卷第10期的封面文章(Cover Article)!
https://www.mdpi.com/2079-4991/16/10
Cover Story: Lead-free halide double perovskites Rb2InCuX6 (X = F, Cl, Br) are systematically investigated
using first-principles DFT including spin-orbit coupling. Their structural stability is confirmed by tolerance
factors and negative formation energies. Electronic band structures reveal direct band gaps of 1.49 eV (F),
0.91 eV (Cl), and 0.56 eV (Br), ideal for photovoltaics. Strong ultraviolet absorption and low reflectivity in
the visible range make them attractive for optoelectronic devices. Notably, Rb2InCuF6 exhibits a
thermoelectric figure of merit ZT = 0.80 at 800 K, approaching unity. These findings establish Rb2InCuX6
as promising, eco-friendly candidates for integrated solar and thermoelectric applications.




