Journal
ACS APPLIED ENERGY MATERIALS
Volume 5, Issue 4, Pages 3926-3932Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsaem.1c03598
Keywords
double perovskite; lead-free; antimony; strain engineering; bandgap reduction
Funding
- IIT, Roorkee, India
- Indian Space Research Organization [STC-PHY-1563]
- Ministry of Science and Technology, Taiwan [MOST 110-2281-E-006-500-MY3, 109-2221-E-006-110-MY3]
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In this study, we synthesized Sb-based single crystals of Cs2AgSbCl6 with a low bandgap of approximately 1.82 eV and investigated the effect of strain on their optical properties. Interestingly, the polycrystalline ground powder and heated single crystals showed a larger bandgap of about 2.55 eV. The reduction in bandgap is attributed to the presence of strain in the single crystals, which was confirmed by X-ray diffraction and Raman spectroscopy and supported by density functional theory calculations. Strain engineering for bandgap reduction could be crucial for the development of environmentally friendly solar cells with low bandgaps.
Herein, we synthesized Sb-based single crystals (SCs) of Cs2AgSbCl6 with an impressive low bandgap of similar to 1.82 eV and demonstrated the effect of strain on optical properties. Interestingly, the polycrystalline ground powder and the heated SCs of Cs2AgSbCl6 exhibited a larger bandgap of similar to 2.55 eV. The reduction of bandgap is attributed to the existence of strain in the SC as confirmed by X-ray diffraction and Raman spectroscopy and supported by density functional theory (DFT) calculations. The strain engineering for bandgap reduction can play a pivotal role for developing low-bandgap lead-free double perovskite for environmentally friendly solar cell applications.
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