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Structure modulation for bandgap engineered vacancy-ordered Cs3Bi2Br9 perovskite structures through copper alloying
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SYSNO ASEP 0561506 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Structure modulation for bandgap engineered vacancy-ordered Cs3Bi2Br9 perovskite structures through copper alloying Author(s) Elattar, A. (JP)
Kobera, Libor (UMCH-V) RID, ORCID
Kangsabanik, J. (DK)
Suzuki, H. (JP)
Abbrent, Sabina (UMCH-V) RID, ORCID
Nishikawa, T. (JP)
Thygesen, K. S. (DK)
Brus, Jiří (UMCH-V) RID, ORCID
Hayashi, Y. (JP)Source Title Journal of Materials Chemistry C. - : Royal Society of Chemistry - ISSN 2050-7526
Roč. 10, č. 35 (2022), s. 12863-12872Number of pages 10 s. Language eng - English Country GB - United Kingdom Keywords Cs3Bi2Br9 perovskite ; Cs2CuBr4 ; light absorption Subject RIV CB - Analytical Chemistry, Separation OECD category Analytical chemistry R&D Projects GA19-05259S GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UMCH-V - RVO:61389013 UT WOS 000843038100001 EID SCOPUS 85137400745 DOI https://doi.org/10.1039/D2TC01762H Annotation Lead-free, vacancy-ordered, Cs3Bi2Br9 perovskite is considered promising inorganic, stable, and non-toxic halide perovskite for optoelectronic and photovoltaic applications. However, its wide bandgap limits its state-of-art applications. We notice an observable enhancement of light absorption of Cs3Bi2Br9 perovskite crystals upon CuBr2 addition to the perovskite precursor. X-ray diffraction, 133Cs solid state NMR, Raman spectroscopy, X-ray photoelectron spectroscopy, and density functional theory calculations were studied to find out the nature of the perovskite crystal formation mechanism. With the addition of up to 50% CuBr2, the Cs3Bi2Br9 perovskite retains its matrix structure with homogeneously distributed Cs2CuBr4 large domains. Drop-casting of perovskite/DMSO solutions over TiO2 thin films reveals a reduction of the direct bandgap from 2.56 eV for pristine Cs3Bi2Br9 to 1.77 eV for a 50% Cu2+ alloyed one. First-principles calculations reveal the possibility of Cs2CuBr4 phase formation with higher Cu alloying, which can be the main reason behind bandgap narrowing. For homogeneously Cu alloyed Cs3Bi2Br9, reduction of the effective bandgap can occur due to the formation of compensating defect levels (VBr, CuBr) above the pristine valence band maxima (VBM). These results highlight the importance of alloying for structure modulation for bandgap engineered vacancy-ordered perovskite structures. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2023 Electronic address https://pubs.rsc.org/en/content/articlelanding/2022/TC/D2TC01762H
Number of the records: 1