Numerical simulation of germanium selenide heterojunction solar cell

Xiao You-Peng; Wang Huai-Ping; Feng Lin

doi:10.7498/aps.72.20231220

Abstract

One of the research hotspots in thin film solar cell technology is to seek the suitable absorber layer materials to replace cadmium telluride and copper indium gallium selenium. Recently, germanium selenide (GeSe) with excellent photoelectric property has entered the field of vision of photovoltaic researchers. The main factors affecting the performance of heterojunction solar cell are the material properties of each functional layer, the device configuration, and the interface characteristics at the heterostructure. In this study, we utilize GeSe as the absorber layer, and assemble it with stable TiO₂ as electron transport layer and with Cu₂O as hole transport layer, respectively, into a heterojunction solar cell with the FTO/TiO₂/GeSe/Cu₂O/Metal structure. The TiO₂ and Cu₂O can form small spike-like conduction band offset and valence band offset with the absorber layer, respectively, which do not hinder majority carrier transport but can effectively suppress carrier recombination at the heterointerface. Subsequently, the wxAMPS software is used to simulate and analyze the effects of functional layer material parameters, heterointerface characteristics, and operating temperature on the performance parameters of the proposed solar cell. Considering the practical application, the relevant material parameters are selected carefully. After being optimized at 300 K, the proposed GeSe heterojunction solar cell can reach an open circuit voltage of 0.752 V, a short circuit current of 40.71 mA·cm^–2, a filling factor of 82.89%, and a conversion efficiency of 25.39%. It is anticipated from the results that the GeSe based heterojunction solar cell with a structure of FTO/TiO₂/GeSe/Cu₂O/Au has the potential to become a high-efficiency, low toxicity, and low-cost photovoltaic device. Simulation analysis also provides some references for designing and preparing the heterojunction solar cells.

Keywords:

Authors and contacts

1.
Engineering Research Center of Nuclear Technology Application, Ministry of Education, East China University of Technology, Nanchang 330013, China
2.
School of Mechanical and Electronic Engineering, East China University of Technology, Nanchang 330013, China

Corresponding author: Xiao You-Peng, xiaoypnc@ecut.edu.cn

Funds: Project supported by the East China University of Technology Research Foundation for Advanced Talents, China (Grant No. DHBK2019170) and the Key Research and Development Project of Department of Science and Technology of Jiangxi Province, China (Grant No. 20203BBE53030).

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References

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[2]	Green M A, Hishikawa Y, Dunlop E D, Levi D H, Hohl-Ebinger J, Ho-Baillie A W Y 2018 Prog. Photovoltaics Res. Appl. 26 427 Google Scholar
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Cited By

图 1 模拟器件结构

Figure 1. Schematic diagram of device architectures.

DownLoad: Full-Size Img PowerPoint

图 2 GeSe异质结太阳电池能带图

Figure 2. Schematic diagram of energy band of GeSe based solar cell.

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图 3 不同ETL厚度和载流子浓度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 3. Variations of output parameters depending on the thickness and carrier concentration of ETL: (a) V_oc; (b) J_sc; (c) FF; (d) η.

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图 4 不同HTL厚度和载流子浓度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 4. Variations of output parameters depending on the thickness and carrier concentration of HTL: (a) V_oc; (b) J_sc; (c) FF; (d) η.

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图 5 不同HTL载流子浓度时太阳电池的(a) 能带结构和(b) 载流子复合率

Figure 5. GeSe based solar cell with different acceptor concentration of the HTL: (a) Energy band structure; (b) carrier recombination rate.

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图 6 不同吸收层厚度和载流子浓度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 6. Influences of thickness and carrier concentration variations of the GeSe absorber layer on the photovoltaic performance parameters for the proposed solar cell: (a) V_oc; (b) J_sc; (c) FF; (d) η.

DownLoad: Full-Size Img PowerPoint

图 7 不同吸收层缺陷密度和工作温度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 7. Photovoltaic performance parameters of the GeSe based solar cell with different N_t,GeSe and operating temperature: (a) V_oc; (b) J_sc; (c) FF; (d) η.

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图 8 不同N_it1和工作温度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 8. Photovoltaic performance parameters of the GeSe based solar cell with different N_it1 and operating temperature: (a) V_oc; (b) J_sc, (c) FF; (d) η.

DownLoad: Full-Size Img PowerPoint

图 9 不同N_it2和工作温度时太阳电池的(a) V_oc, (b) J_sc, (c) FF, (d) η

Figure 9. Photovoltaic performance parameters of the GeSe based solar cell with different N_it2 and operating temperature: (a) V_oc; (b) J_sc; (c) FF; (d) η.

DownLoad: Full-Size Img PowerPoint

图 10 不同背接触功函数时太阳电池的(a)J-V曲线和(b) 能带图

Figure 10. The GeSe based solar cell with different back contact work function: (a) J-V curves; (b) energy band diagram.

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表 1 模拟使用的主要材料参数

Table 1. Simulation parameters for GeSe based solar cell in this study.

参数	FTO	TiO₂	GeSe	Cu₂O
厚度/µm	0.5^[22]	Variable	Variable	Variable
相对介电常数 ε_r	9^[22,23]	10^[24]	15.3^[8,25]	7.11^[27]
禁带宽度 E_g/eV	3.5^[22,23]	3.2^[23,24]	1.14^[8,12,25]	2.17^[27,28]
电子亲和能 χ_/eV	4^[22,23]	3.9^[23,24]	4.07^[13]	3.2^[27,28]
导带有效态密度 N_c/(10¹⁷ cm^–3)	22.0^[22]	220.0^[24]	40.0^[26]	2.0^[27]
价带有效态密度 N_v/(10¹⁹ cm^–3)	1.8^[22]	1.8^[24]	1.75^[26]	1.1^[27]
施主载流子浓度 N_D/(10¹⁹ cm^–3)	2^[22]	Variable	0	0
受主载流子浓度 N_A/cm^–3	0	0	Variable	Variable
电子迁移率 µ_n/(cm²·V^–1·s^–1)	20^[22,23]	20^[23]	11.2^[8,25]	200^[27]
空穴迁移率 µ_p/(cm²·V^–1·s^–1)	10^[22,23]	10^[23]	12.7^[8,25]	80^[27]
缺陷密度 N_t/(10¹⁵ cm^–3)	1^[22,23]	1^[23,24]	Variable	1^[27]

DownLoad: CSV

表 2 不同背接触功函数GeSe基太阳电池的性能参数

Table 2. Photovoltaic performance parameters of the GeSe based solar cell with different back contact work function.

	V_oc/V	J_sc (mA·cm^–2)	FF/%	η/%
4.5 eV	0.599	40.63	47.96	11.67
4.6 eV	0.697	40.66	55.45	15.70
4.7 eV	0.751	40.68	63.52	19.42
4.8 eV	0.755	40.70	74.73	22.96
4.9 eV	0.753	40.70	82.11	25.16
5.0 eV	0.752	40.71	82.88	25.38
5.1 eV	0.752	40.71	82.89	25.39
5.2 eV	0.752	40.71	82.89	25.39

DownLoad: CSV

表 3 模拟所得优化材料和异质结界面参数

Table 3. Optimized values of the different material parameters and heterointerface properties.

参数	TiO₂	GeSe	Cu₂O	N_it1	N_it2	Au
厚度/μm	0.05	0.4	0.05
载流子浓度/cm^–3	10¹⁸	10¹⁷	10¹⁸
体缺陷密度/cm^–3	10¹⁵	10¹⁵	10¹⁵
界面态密度/cm^–2				10⁹	10⁹
背接触功函数/eV						5.1

DownLoad: CSV

map

[1]	Lee T D, Ebong A U 2017 Renewable Sustainable Energy Rev. 70 1286 Google Scholar
[2]	Green M A, Hishikawa Y, Dunlop E D, Levi D H, Hohl-Ebinger J, Ho-Baillie A W Y 2018 Prog. Photovoltaics Res. Appl. 26 427 Google Scholar
[3]	刘浩, 薛玉明, 乔在祥, 李微, 张超, 尹富红, 冯少君 2015 64 068801 Google Scholar Liu H, Xue Y M, Qiao Z X, Li W, Zhang C, Yin F H, Feng S J 2015 Acta Phys. Sin. 64 068801 Google Scholar
[4]	Chen C, Tang J 2020 ACS Energy Lett. 5 2294 Google Scholar
[5]	Yang W, Zhang X, Tilley S D 2021 Chem. Mater. 33 3467 Google Scholar
[6]	Liu S C, Yang Y, Li Z B, Xue D J, Hu J S 2020 Mater. Chem. Front. 4 775 Google Scholar
[7]	Li K, Tang J 2021 Sci. China, Ser. B Chem. 64 1605 Google Scholar
[8]	闫彬, 薛丁江, 胡劲松 2022 化学学报 80 797 Google Scholar Yan B, Xue D J, Hu J S 2022 Acta Chim. Sin. 80 797 Google Scholar
[9]	Zi W, Mu F, Lu X M, Cao Y, Xie Y P, Fang L, Cheng N, Zhao Z Q, Xiao Z Y 2020 Sol. Energy 199 837 Google Scholar
[10]	Xu D J, Liu S C, Dai C M, Chen S Y, He C, Zhao L, Hu J S, Wan L J 2017 J. Am. Chem. Soc. 139 958 Google Scholar
[11]	Chen B W, Chen G L, Wang W H, Cai H L, Yao L Q, Chen S Y, Huang Z G 2018 Sol. Energy 176 98 Google Scholar
[12]	Chen B W, Ruan Y R, Li J M, Wang W H, Liu X L, Cai H L, Yao L Q, Zhang J M, Chen S Y, Chen G Y, Chen G L 2019 Nanoscale 11 3968 Google Scholar
[13]	Wu J M, Lü Y P, Wu H, Zhang H S, Wang F, Zhang J, Wang J Z, Xu X H 2022 Rare Met. 41 2992 Google Scholar
[14]	Liu S C, Li Z B, Wu J P, Zhang X, Feng M J, Xue D J, Hu J S 2021 Sci. China Mater. 64 2118 Google Scholar
[15]	Liu S C, Dai C M, Min Y M, Hou Y, Proppe A H, Zhou Y, Chen C, Chen S Y, Tang J, Xue D J, Sargent E H, Hu J S 2021 Nat. Commun. 12 670 Google Scholar
[16]	肖友鹏, 高超, 王涛, 周浪 2017 66 158801 Google Scholar Xiao Y P, Gao C, Wang T, Zhou L 2017 Acta Phys. Sin. 66 158801 Google Scholar
[17]	曹宇, 祝新运, 陈瀚博, 王长刚, 张鑫童, 候秉东, 申明仁, 周静 2018 67 247301 Google Scholar Cao Y, Zhu X Y, Chen H B, Wang C G, Zhang X T, Hou B D, Shen M R, Zhou J 2018 Acta Phys. Sin. 67 247301 Google Scholar
[18]	肖友鹏, 王怀平, 李刚龙 2021 70 018801 Google Scholar Xiao Y P, Wang H P, Li G L 2021 Acta Phys. Sin. 70 018801 Google Scholar
[19]	肖友鹏, 王怀平 2022 光学学报 42 2331002 Google Scholar Xiao Y P, Wang H P 2022 Acta Opt. Sin. 42 2331002 Google Scholar
[20]	Gharibshahian I, Orouji A A, Sharbati S 2020 Sol. Energy Mater. Sol. Cells 212 110581 Google Scholar
[21]	Ahmed S R A, Sunny A, Rahman S 2021 Sol. Energy Mater. Sol. Cells 221 110919 Google Scholar
[22]	Huang L K, Sun X X, Li C, Xu R, Xu J, Du Y Y, Wu Y X, Ni J, Cai H K, Li J, Hu Z Y, Zhang J J 2016 Sol. Energy Mater. Sol. Cells 157 1038 Google Scholar
[23]	Rai S, Pandey B K, Dwivedi D K 2020 Opt. Mater. 100 109631
[24]	Ahmed A, Riaz K, Mehmood H, Tauqeer T, Ahmad Z 2020 Opt. Mater. 105 109897 Google Scholar
[25]	Liu S C, Mi Y, Xue D J, Chen Y X, He C, Liu X F, Hu J S, Wan L J 2017 Adv. Electron. Mater. 3 1700141 Google Scholar
[26]	Mohammadi M H, Fathi D, Eskandari M 2020 Sol. Energy 204 200 Google Scholar
[27]	Lin L, Jiang L, Li P, Fan B, Qiu Y 2019 J. Phys. Chem. Solids 124 205 Google Scholar
[28]	Raoui Y, Ez-Zahraouy H, Tahiri N, Bounagui O E, Ahmad S, Kazim S 2019 Sol. Energy 193 948 Google Scholar
[29]	Kondrotas R, Chen C, Tang J 2018 Joule 2 857 Google Scholar
[30]	Zhao P, Lin Z, Wang J, Yue M, Su J, Zhang J, Chang J, Hao Y 2019 ACS Appl. Energy Mater. 2 4504 Google Scholar
[31]	Ali M H, Mamun M A A, Haque M D, Rahman M F, Hossain M K, Islam A Z M T 2023 ACS Omega 8 7017 Google Scholar
[32]	Sze S M, Ng K K 2007 Physics of Semiconductor Devices (3rd Ed.) (New York: John Wliey & Sons) p264

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