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- Title
Mechanism of Tunable Band Gap of Halide Cubic Perovskite CsPbBr<sub>3-x</sub>I<sub>x</sub>.
- Authors
ÇELİK, Veysel
- Abstract
Perovskites are organic-inorganic compounds with a crystal structure that revolutionize many optoelectronic applications, especially solar cells. The CsPbBr3-xIx, a perovskite, has garnered significant attention due to its tunable band gap and excellent photovoltaic properties. In this theoretical study, the structural, electronic, and optical properties of CsPbBr3-xIx are investigated through density functional theory calculations. The calculations reveal that the substitution of Br with I leads to a significant reduction in the band gap of CsPbBr3-xIx, resulting in improved light absorption properties. The obtained data show that the coexistence of Br and I ions in the structure creates an energy level similar to the shallow energy levels caused by doping at the R symmetry point in the band structure.
- Subjects
BAND gaps; PEROVSKITE; SOLAR cells; IONIC structure; DENSITY functional theory; LIGHT absorption
- Publication
Sakarya University Journal of Science (SAUJS) / Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2023, Vol 27, Issue 6, p1276
- ISSN
1301-4048
- Publication type
Article
- DOI
10.16984/saufenbilder.1270814