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Pressure-induced bandgap engineering of lead-free halide double perovskite (NH4)2SnBr6
- Source :
- Physical Chemistry Chemical Physics. 23:19308-19312
- Publication Year :
- 2021
- Publisher :
- Royal Society of Chemistry (RSC), 2021.
-
Abstract
- Lead-free halide double perovskites (HDPs) have recently been proposed as potential stable and environment-friendly alternatives to lead-based halide perovskites. Bandgap engineering plays a vital role in the optoelectronic applications of HDP materials. In this study, methods combining high-pressure techniques with density functional theory calculations were employed to implement the bandgap engineering of a classic HDP-based (NH4)2SnBr6. Under high pressure, (NH4)2SnBr6 exhibits a redshift of the bandgap with increasing pressure up to 6.3 GPa and a sudden blueshift up to 20.2 GPa, followed by a redshift at higher pressures, which is relevant to the cubic-tetragonal phase transition, direct-indirect transition, and amorphization, respectively. Our results enrich the understanding of the structural-optical properties of (NH4)2SnBr6 and reveal the special role of NH4+ cations in pressure-induced bandgap engineering, thus providing important information for application in optoelectronic devices and helping to design ideal materials with higher efficiency.
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 23
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics
- Accession number :
- edsair.doi...........eb74cc29db97566b6717fdeb65dbebe0