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Abstract

To avoid environmental pollution caused by lead, the tin-based perovskite solar cells have become a research hotspot in the photovoltaic field. Numerical simulations of tin-based perovskite solar cells are conducted by the solar cell simulation software, SCAPS-1D, with different electron transport layers and hole transport layers. And then the performances of perovskite solar cells are compared with each other and analyzed on different carrier transport layers. The results show that band alignment between the carrier transport layer and the perovskite layer are critical to cell performances. A higher conduction band or electronic quasi-Fermi level of electron transport layer can lead to a higher open circuit voltage. Similarly, a lower valence band or hole quasi-Fermi level of hole transport layer can also promote a higher open circuit voltage. In addition, when the conduction band of electron transport layer is higher than that of the absorber, a spike barrier is formed at the interface between the electron transport layer and perovskite layer. Nevertheless, a spike barrier is formed at the interface between the perovskite layer and the hole transport layer if the valence band of hole transport layer is lower than that of the absorber. However, if the conduction band of electron transport layer is lower than that of the absorber or the valence band of hole transport layer is higher than that of the absorber, a cliff barrier is formed. Although the transport of carrier is hindered by spike barrier compared with cliff barrier, the activation energy for carrier recombination becomes lower than the bandgap of the perovskite layer, leading to the weaker interface recombination and the better performance. Comparing with other materials, satisfying output parameters are obtained when Cd _0.5Zn _0.5S and MASnBr ₃are adopted as the electron transport layer and the hole transport layer, respectively. The better performances are obtained as follows: V _oc= 0.94 V, J _sc= 30.35 mA/cm ², FF = 76.65%, and PCE = 21.55%, so Cd _0.5Zn _0.5S and MASnBr ₃are suitable carrier transport layer materials. Our researches can help to design the high-performance tin-based perovskite solar cells.

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Authors and contacts

Corresponding author:Bi Xue-Guang,xgb@ylu.edu.cn

Funds:Project supported by the Natural Science Foundation Youth Fund Projectof Guangxi, China (Grant No. 2019 GXNSFBA245076)

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Parameter	SnO₂:F	TiO₂	MASnI₃	spiro-OMeTAD
Thickness/nm	500^[13]	100^[21]	500^[13]	200^[18]
E_g/eV	3.5^[13]	3.2^[18]	1.3^[13]	3.0^[20]
χ/eV	4.0^[13]	3.9^[18]	4.17^[13]	2.45^[20]
ε_r	9.0^[13]	9.0^[18]	8.2^[13]	3.0^[20]
N_c/cm^–3	1 × 10¹⁹^[13]	1 × 10²¹^[18]	1 × 10¹⁸^[13]	1 × 10¹⁹^[21]
N_v/cm^–3	1 × 10¹⁹^[13]	2 × 10²⁰^[18]	1 × 10¹⁸^[13]	1 × 10¹⁹^[21]
μ_n/(cm²·V·s^–1)	100^[13]	20^[18]	1.6^[13]	0.0002^[20]
μ_p/(cm²·V·s^–1)	25^[13]	10^[18]	1.6^[13]	0.0002^[20]
N_d/cm^–3	2 × 10¹⁹^[13]	1 × 10¹⁷^[18]	0^[13]	0^[20]
N_a/cm^–3	0^[13]	0^[18]	1 × 10¹⁶^[13]	2 × 10¹⁸^[20]
N_t/cm^–3	1 × 10¹⁵^[18]	1 × 10¹⁵^[18]	1 × 10¹⁵^[13]	1 × 10¹⁵^[20]

DownLoad: CSV

Parameter	C60	CdS	Cd_0.5Zn_0.5S	IGZO	PCBM	ZnO
E_g/eV	1.7^[17]	2.4^[25]	2.8^[13]	3.05^[18]	2^[18]	3.3^[17]
χ/eV	3.9^[17]	4.2^[25]	3.8^[13]	4.16^[18]	3.9^[18]	4.1^[17]
ε_r	4.2^[17]	10^[25]	10^[13]	10^[18]	3.9^[18]	9^[17]
N_c/cm^–3	8 × 10¹⁹^[17]	2.2 × 10¹⁸^[25]	1 × 10¹⁸^[13]	5 × 10¹⁸^[18]	2.5 × 10²¹^[18]	4 × 10¹⁸^[17]
N_v/cm^–3	8 × 10¹⁹^[17]	1.8 × 10¹⁹^[25]	1 × 10¹⁸^[13]	5 × 10¹⁸^[18]	2.5 × 10²¹^[18]	1 × 10¹⁹^[17]
μ_n/(cm²·V·s^–1)	0.08^[17]	100^[25]	100^[13]	15^[18]	0.2^[18]	100^[17]
μ_p/(cm²·V·s^–1)	0.0035^[17]	25^[25]	25^[13]	0.1^[18]	0.2^[18]	25^[17]
N_d/cm^–3	2.6 × 10¹⁸^[17]	1 × 10¹⁷^[25]	1 × 10¹⁷^[13]	1 × 10¹⁸^[18]	2.93 × 10¹⁷^[18]	1 × 10¹⁸^[26]
N_a/cm^–3	0^[17]	0^[25]	0^[13]	0^[18]	0^[18]	0^[26]
N_t/cm^–3	1 × 10¹⁴^[17]	1 × 10¹⁷^[25]	1 × 10¹⁵^[13]	1 × 10¹⁵^[18]	1 × 10¹⁵^[18]	1 × 10¹⁵^[26]

DownLoad: CSV

Parameter	Cu₂O	CuI	CuSCN	MASnBr₃	NiO	PEDOT:PSS
E_g/eV	2.17^[26]	2.98^[18]	3.4^[18]	2.15^[13]	3.8^[18]	2.2^[18]
χ/eV	3.2^[26]	2.1^[18]	1.9^[18]	3.39^[13]	1.46^[18]	2.9^[18]
ε_r	6.6^[20]	6.5^[18]	10^[18]	8.2^[13]	11.7^[20]	3^[18]
N_c/cm^–3	2.5 × 10²⁰^[20]	2.8 × 10¹⁹^[18]	1.7 × 10¹⁹^[18]	1 × 10¹⁸^[13]	2.5 × 10²⁰^[20]	2.2 × 10¹⁵^[18]
N_v/cm^–3	2.5 × 10²⁰^[20]	1 × 10¹⁹^[18]	2.5 × 10²¹^[18]	1 × 10¹⁸^[13]	2.5 × 10²⁰^[20]	1.8 × 10¹⁸^[18]
μ_n/(cm²·V·s^–1)	80^[20]	0.00017^[18]	0.0001^[18]	1.6^[13]	2.8^[20]	0.02^[18]
μ_p/(cm²·V·s^–1)	80^[20]	0.0002^[18]	0.1^[18]	1.6^[13]	2.8^[20]	0.0002^[18]
N_d/cm^–3	0^[20]	0^[18]	0^[18]	0^[13]	0^[18]	0^[18]
N_a/cm^–3	1 × 10¹⁸^[26]	1 × 10¹⁸^[18]	1 × 10¹⁸^[18]	1 × 10¹⁸^[13]	1 × 10¹⁸^[18]	3.17 × 10¹⁴^[18]
N_t/cm^–3	1 × 10¹⁵^[26]	1 × 10¹⁵^[18]	1 × 10¹⁴^[18]	1 × 10¹⁵^[13]	1 × 10¹⁴^[18]	1 × 10¹⁵^[18]

DownLoad: CSV

Parameter	C60	CdS	Cd_0.5Zn_0.5S	IGZO	PCBM	TiO₂	ZnO
V_oc/V	0.84	0.81	0.93	0.82	0.83	0.84	0.83
J_sc/(mA·cm^–2)	21.73	27.50	29.39	29.27	24.86	29.64	29.58
FF/%	69.47	62.62	64.73	63.95	67.53	69.27	67.72
PCE/%	12.66	14.01	17.70	15.32	13.92	17.24	16.64

DownLoad: CSV

Parameter	C60	CdS	Cd_0.5Zn_0.5S	IGZO	PCBM	TiO₂	ZnO
CBO/eV	0.27	–0.03	0.37	0.01	0.27	0.27	0.07
Barrier shape	spike	cliff	spike	spike	spike	spike	spike
$E_{\rm{a}}^{{\rm{ETL}}}$/eV	1.3	1.27	1.3	1.3	1.3	1.3	1.3

DownLoad: CSV

Parameter	Cu₂O	CuI	CuSCN	MASnBr₃	NiO	PEDOT:PSS	spiro-OMeTAD
V_oc/V	0.92	0.85	0.91	0.94	0.90	0.88	0.93
J_sc/(mA·cm^–2)	28.71	28.18	28.45	30.35	28.32	28.21	29.39
FF/%	76.49	74.32	75.74	76.65	75.04	73.30	64.73
PCE/%	20.28	17.79	19.71	21.55	19.04	18.15	17.70

DownLoad: CSV

Parameter	Cu₂O	CuI	CuSCN	MASnBr₃	NiO	PEDOT:PSS	spiro-OMeTAD
VBO/eV	–0.1	–0.27	–0.17	0.07	–0.21	–0.27	–0.02
Barrier shape	cliff	cliff	cliff	spike	cliff	cliff	cliff
$E_{\rm{a}}^{{\rm{HTL}}}$/eV	1.2	1.03	1.13	1.3	1.09	1.03	1.28

DownLoad: CSV

Device structure	Category	PCE/%	Device structure	Category	PCE/%
SnO₂/MAPbI₃/spiro^[38]	experiment	14.19	TiO₂/MAPbI₃/CuSCN^[47]	simulation	20
TiO₂/MAPbI₃/spiro^[43]	experiment	15.9	Cu₂O/MAPbI₃/TiO₂^[20]	simulation	28
TiO₂/MAPbI₃/spiro^[44]	experiment	17.36	ZnO/MAPbI₃/Cu₂O^[26]	simulation	20
ZnO/MAPbI3/spiro^[40]	simulation	22.49	TiO₂/MAPbI₃/CuI^[47]	simulation	17.54
ZnO/MAPbI₃/P3HT^[37]	simulation	18.76	CdS/MAPbI₃/spiro^[42]	simulation	23.83
TiO₂/MAPbI₃/CuGaO₂^[41]	simulation	23.42	TiO₂/MAPbI₃/spiro^[47]	simulation	22.35
TiO₂/MASnI₃/spiro^[46]	experiment	6.4	PEDOT:PASS/MASnI₃/PCBM^[39]	experiment	6.03
TiO₂/MASnI₃/spiro^[45]	experiment	5.73	Structure of this article	simulation	21.55

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Vol. 70, Issue 3 - 2021-02-05

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