2023
DOI: 10.1021/acs.jpclett.2c03220
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Remarkable Stability and Optoelectronic Properties of an All-Inorganic CsSn0.5Ge0.5I3 Perovskite Solar Cell

Abstract: Sn–Ge mixed perovskites have been proposed as promising lead-free candidates in the photovoltaics (PV) field. In this work, we discovered a stable P1 phase Sn–Ge mixed structure (CsSn0.5Ge0.5I3) with an appropriate band gap value of 1.19 eV, which manifests its unique structural stability and physics properties. The thermodynamic stability of this mixed structure under different growth conditions and all possible native defects are depicted in detail. The formation energies and dominant native point defects in… Show more

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Cited by 14 publications
(11 citation statements)
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“…Yang et al also discovered that partially replacing Pb with Ge not only improved the PL efficiency but also enhanced the stability of perovskite thin films, particularly at certain proportions. These findings are supported by reliable experimental data. Therefore, the unique role of germanium in the mixed system is crucial and warrants a systematic theoretical investigation.…”
Section: Introductionmentioning
confidence: 70%
See 1 more Smart Citation
“…Yang et al also discovered that partially replacing Pb with Ge not only improved the PL efficiency but also enhanced the stability of perovskite thin films, particularly at certain proportions. These findings are supported by reliable experimental data. Therefore, the unique role of germanium in the mixed system is crucial and warrants a systematic theoretical investigation.…”
Section: Introductionmentioning
confidence: 70%
“…Additionally, similar to CsGeBr 3 - R 3 m , the CsPb 0.5 Ge 0.5 Br 3 - P 1 space group exhibits a deviation of Ge ions from the center of the octahedron. It is well established , that both octahedral distortion and noncentrosymmetric deviations in the perovskite crystal structure contribute to the lowering of the structure’s energy value. This property implies that the P 1 space group exhibits the lowest total energy among the other three space groups with the same Pb/Ge ratio in the mixing system.…”
Section: Resultsmentioning
confidence: 99%
“…This could mitigate charge recombination and enhance device stability [12]. CsSn 0.5 Ge 0.5 I 3 is a lead-free perovskite material with a strong potential for usage in solar cells [13]. It possesses a 1.5 eV bandgap, making it suitable for absorbing sunlight and turning it into energy [14].…”
Section: Introductionmentioning
confidence: 99%
“…Some of the alternatives of Pb, such as Sn, Ge, Sb, Ca, Mg, and Ni, can be found in the literature. [12][13][14][15] Sn-based perovskite with an ideal bandgap of 1.3 eV is most suitable for photovoltaic applications. Besides, there are few reports regarding the toxic nature of Sn-based PSCs were also reported.…”
Section: Introductionmentioning
confidence: 99%