Beneficial effects of tensile strain on charge carrier lifetime in metal halide perovskites containing halogen vacancies

Wang, Zhiguo; Zhang, Pingzhi; Wei, Wei; Li, Wei

doi:10.1039/d3tc02828c

Cited by 4 publications

(1 citation statement)

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“…18 Wang et al , employing time-domain ab initio simulations combined with non-radiative recombination, proposed that under moderate strain, the lifetime of charge carriers can be extended by an order of magnitude. 19 Qiao et al established that both compressive and tensile strains can eliminate electron–hole non-radiative recombination centers generated by defect states, prolonging the carrier lifetime. 20 Duan et al generated perovskite thin films with compressive strain using lattice-matching chelation strategies, improving charge carrier transport, reducing non-radiative recombination and defect density, leading to an enhancement in the efficiency of perovskite solar cells (PSC) to 24.61%.…”

Section: Introductionmentioning

confidence: 99%

The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain

Liu,

Lin,

Xia

et al. 2024

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain

Liu,

Lin,

Xia

et al. 2024

Phys. Chem. Chem. Phys.

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Numerical optimization of interface engineering parameters for a highly efficient HTL-free perovskite solar cell

Njema,

Kibet,

Ngari

et al. 2024

Materials Today Communications

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Theoretical study on the photovoltaic application prospect of emerging three-dimensional organosulfide-halide perovskites (CYS)PbX2 (X = Cl, Br, and I)

Luo,

Lei,

Pan

et al. 2024

Journal of Applied Physics

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The large Stokes shifts usually result in open circuit voltage (VOC) reduction, which will affect the photovoltaic performance of the material. Recently, three-dimensional organosulfide-halide perovskites (CYS)PbCl2 and (CYS)PbBr2 [CYS: +NH3(CH2)2S−] have received much attention in the photovoltaic field due to their higher stability and similar photoelectric properties (desirable direct bandgap, band dispersion, and light absorption) than MAPbX3 (X = Cl, Br, and I). Unfortunately, both materials exhibit large Stokes shifts emission. Thus, to be clear about their application prospects in the photovoltaic field, the origin of the large Stoke shift needs to be investigated. Moreover, the bandgaps of (CYS)PbBr2 (2.17 eV) and (CYS)PbCl2 (2.32 eV) are higher than the ideal bandgap value of (0.9–1.6 eV) for photovoltaic materials. Based on density functional theory, this paper explores the cause of large Stokes shifts and further improves the photovoltaic performance of the materials by halogen substitution. The calculation results show that the large Stokes shifts come from defect emission rather than intrinsic self-trapping emission and the I atom substitution can reduce the bandgap [(CYS)PbI2; gap = 1.85 eV] and enhance the optical absorption and carrier migration ability without destroying the direct bandgap. Our research will promote the experimental synthesis of more excellent perovskite photovoltaic materials.

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Beneficial effects of tensile strain on charge carrier lifetime in metal halide perovskites containing halogen vacancies

Abstract: We reported a time-domain ab initio investigation of the tensile strain-dependent nonradiative charge recombination in methylammonium lead halide (MAPbI3) perovskites containing halogen vacancy defects. Our results show that applying tensile...

Cited by 4 publications

References 80 publications

The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain

The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain

Numerical optimization of interface engineering parameters for a highly efficient HTL-free perovskite solar cell

Theoretical study on the photovoltaic application prospect of emerging three-dimensional organosulfide-halide perovskites (CYS)PbX2 (X = Cl, Br, and I)

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Beneficial effects of tensile strain on charge carrier lifetime in metal halide perovskites containing halogen vacancies

Abstract: We reported a time-domain ab initio investigation of the tensile strain-dependent nonradiative charge recombination in methylammonium lead halide (MAPbI3) perovskites containing halogen vacancy defects. Our results show that applying tensile...

Cited by 4 publications

References 80 publications

The effective prolongation of the excited-state carrier lifetime of CsPbI2Br with applying strain

The effective prolongation of the excited-state carrier lifetime of CsPbI2Br with applying strain

Numerical optimization of interface engineering parameters for a highly efficient HTL-free perovskite solar cell

Theoretical study on the photovoltaic application prospect of emerging three-dimensional organosulfide-halide perovskites (CYS)PbX2 (X = Cl, Br, and I)

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The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain

The effective prolongation of the excited-state carrier lifetime of CsPbI₂Br with applying strain