YUAN Xiang; ZHANG Zifa; WANG Mingji; HE Danmin; LU Yingshen; HONG Feng; JIANG Zuimin; XU Run; WANG Yingmin; MA Zhongquan; SONG Hongwei; XU Fei

doi:10.7498/aps.74.20250372

Abstract

Organic cations in hybrid organic-inorganic perovskite solar cells are susceptible to decomposition under high temperatures and ultraviolet light, leading their power conversion efficiency (PCE) to decrease. All-inorganic perovskite solar cells exhibit both high PCE and superior photothermal stability, making them promising candidates for single-junction and tandem photovoltaic applications. The mixed-halide perovskite CsPbI₂Br has received much attention as a top cell in semi-transparent and tandem solar cells due to its excellent thermal stability and suitable bandgap (1.90 eV). Although the PCE of CsPbI₂Br-based solar cells is approaching its theoretical limit, the energy loss caused by non-radiative recombination remains a major barrier to further improving performance. This non-radiative recombination is mainly caused by inadequate band alignment between the absorption layer and the transport layer, resulting in the loss of open-circuit voltage (V_OC) and decrease of short-circuit current density (J_SC). Two-dimensional perovskite passivation formed through solution processing can mitigate interfacial recombination, but it can also impede efficient charge transport. Constructing three-dimensional perovskite structures not only provides an effective solution to these limitations but also enhances sunlight absorption and facilitates carrier transport. In this study, we propose a dual-absorption-layer perovskite heterojunction (DPHJ) strategy, which involves integrating a staggered type-II perovskite heterojunction (p-pCsPbI₂Br-CsPbIBr₂) into the absorption layer of the top cell in an all-perovskite tandem solar cell. The simulation result indicates that stacking a 100-nm-thick CsPbIBr₂ layer atop a 300-nm-thick CsPbI₂Br layer greatly enhances the PCE of the single-junction device from 19.46% to 22.29%. This improvement is mainly attributed to band bending at the CsPbI₂Br/CsPbIBr₂ interface, which enhances the built-in electric field, facilitates carrier transport, and suppresses non-radiative recombination within the absorption layer. Compared with the tandem solar cell utilizing a single-absorption-layer CsPbI₂Br top cell, the DPHJ-based tandem solar cell significantly increases V_OC from 2.16 to 2.25 V and J_SC from 15.96 to 16.76 mA⋅cm^–2. As a result, the DPHJ-based tandem solar cell achieves a high theoretical PCE of 32.47%. In addition, the DPHJ-based tandem solar cell exhibits a significantly enhanced external quantum efficiency in a wavelength range of 500–580 nm, which can be attributed to the band-edge absorption of CsPbIBr₂. This enhanced absorption generates more photogenerated carriers, thereby significantly improving the J_SC. The V_OC and PCE values in this study exceed those experimentally reported values of current CsPbI₂Br single-junction and all-perovskite tandem solar cells. Compared with the single-layer CsPbI₂Br (E₂ = 101.9 meV, electron-phonon coupling strength $ {\gamma _{{\text{ac}}}} = 1.2 \times {10^{ - 2}},{\text{ }}{\gamma _{{\text{LO}}}} = 6.9 \times {10^3} $), the double-absorption-layer film exhibits a high exciton binding energy (E₂ = 110.7 meV) and reduced electron-phonon coupling strength ($ {\gamma _{{\text{ac}}}} = 1.1 \times {10^{ - 2}},{\text{ }}{\gamma _{{\text{LO}}}} = $$ 6.3 \times {10^3} $), which helps suppress phase segregation and enhance both optical and thermal stability, which is favorable for fabricating long-term stable all-perovskite tandem solar cells. This work provides new ideas and theoretical guidance for improving the efficiency and stability of all-perovskite tandem solar cells. In addition, it also proposes a universal design concept for optimizing absorption layers in all-perovskite multijunction cells, which is expected to further advance the research in this field.

Keywords:

Authors and contacts

Corresponding author: WANG Yingmin, wym@nchu.edu.cn ; XU Fei, feixu@shu.edu.cn

Funds: Project supported by the National Key Research and Development Projiect of China (Grant No. 2024YFA1209500), the National Natural Science Foundation of China (Grant Nos. 62350054, 12175131, 12374379), the Shangrao Technology Project, China (Grant No. 2022A004), and the Key Research and Development Project of Jiangxi Province, China (Grant Nos. 20223BBE51026, 20232BBE50035).

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Cited By

DownLoad: Full-Size Img PowerPoint

参数	CsPbI₂Br	CsPbIBr₂	CsSnI₃	NiO_X	PCBM	SnO₂	Spiro-OMeTAD
厚度/nm	300	100	800	30	30	50	50
受主浓度/cm^–3	1×10¹⁵	1×10¹⁵	5×10¹⁶	1×10¹⁵	0	0	1×10¹⁹
施主浓度/cm^–3	0	0	0	0	5×10¹⁷	1×10¹⁹	0
带隙/eV	1.92	2.11	1.27	3.50	2	3.49	2.6
导带有效态密度/cm^–3	5.1×10¹⁷	1×10¹⁹	1.58×10¹⁹	2.8×10¹⁹	1×10¹⁹	4.36×10¹⁸	2.5×10²⁰
价带有效态密度/cm^–3	1.8×10¹⁸	1×10¹⁹	1.47×10¹⁸	1.8×10¹⁹	1×10¹⁹	2.52×10¹⁹	2.5×10²⁰
电子亲合能/eV	4.16	3.56	4.47	1.80	4.30	4.31	2.60
相对介电常数	7.43	20	10.59	10.70	4	9	3
电子迁移率/(cm²⋅V^–1⋅s^–1)	1.02×10⁵	2.3×10³	4.37	12	1×10^–4	240	2×10^–4
空穴迁移率/(cm²⋅V^–1⋅s^–1)	1.93×10⁴	3.2×10²	4.37	25	1×10^–2	25	2×10^–4

DownLoad: CSV

Sample	E₁/meV	E₂/meV	γ_ac	γ_LO	E_LO/meV
CsPbI₂Br	7.85	101.9	1.2×10^–2	6.9×10³	156.6
CsPbIBr₂	9.25	85.8	1.8×10^–3	5.8×10³	167.7
DPHJ	8.98	110.7	1.1×10^–2	6.3×10³	162.5

DownLoad: CSV

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Vol. 74, Issue 14 - 2025-07-20

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