Structure optimization and optoelectronical property calculation for organic lead iodine perovskite solar cells

Lu Hui-Dong; Han Hong-Jing; Liu Jie

doi:10.7498/aps.70.20210134

Abstract

Methylamine lead iodide (CH₃NH₃PbI₃ MAPbI₃) and formamidine lead iodide (CH(NH₂)₂PbI₃ FAPbI₃) are the most commonly used organic lead iodine perovskite materials for solar cell research. For the perovskite solar cell with a layered structure, the optical properties and thickness of each layer affect the photoelectric conversion efficiency of the cell. In this paper, the optical admittance method and rigorous coupled wave analysis method are used to calculate the absorptivities and transmittances of metal oxide transparent conductive films for tin-doped indium oxide (In₂O₃:Sn), fluorine-doped tin oxide (SnO₂:F), TiO₂, MAPbI₃ and FAPbI₃. The influence of each layer thickness and device structure on the short-circuit current density of the cell are analyzed. It is shown that for the FTO(ITO)/TiO₂/MAPbI₃ structure, when the thickness of the FTO film is 50–450 nm and the thickness of the ITO film is 10–150 nm, the average transmittance for the 360–800 nm wavelength light is 85%. For the FTO(ITO)/TiO₂/FAPbI₃ structure, when the thickness of the FTO film and ITO film are 50–250 nm and 10–150 nm, respectively, the average values of the transmittance for the 360-840 nm wavelength light are 81.6% and 78%, respectively. Under the optimal thickness of FTO and TiO₂, and the thickness of MAPbI₃ and FAPbI₃ are 300–1000 nm, the corresponding short-circuit current densities are in a range of 21.9–23.7 and 23.0–24.4 mA·cm^–2, respectively. The band gap of MAPbI₃ and FAPbI₃ are 1.56 and 1.48 eV, for which the corresponding absorption cut-off wavelengths are 796 and 840 nm, respectively, indicating that FAPbI₃ has a wider absorption spectrum than MAPbI₃. In order to maximize the Jsc value of the organic lead iodine perovskite solar cell, the thickness range of each layer for MAPbI₃ perovskite solar cell (FTO thickness is (80 ± 50) nm, ITO thickness is less than 120 nm, MAPbI₃ thicknessis 300–600 nm) and for FAPbI₃ perovskite solar cell (FTO thickness is (120 ± 50) nm, ITO thickness is less than 180 nm, FAPbI₃ thickness is 300–600 nm) are given. The research results of this article have guiding significance in designing and preparing the perovskite solar cells with high conversion efficiency.

Keywords:

Authors and contacts

New Energy (Photovoltaic) Industry Research Center, Qinghai University, Xining 810016, China

Corresponding author: Lu Hui-Dong, 2015990047@qhu.edu.cn

Funds: Project supported by the Chinasalt Jintan Company of Limited Liability, China (Grant No. ZYJTJS201906) and the Shanghai Aerospace Science and Technology Innovation Program, China (Grant No. SAST2017-139)

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References

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Cited By

图 1 (a)光导纳法和(b)严格耦合波分析法的计算过程图

Figure 1. Calculation procedure of (a) the optical admittance method and (b) rigorous coupled-wave analysis method.

DownLoad: Full-Size Img PowerPoint

图 2 (a)钙钛矿太阳电池结构示意图; (b) MAPbI₃和FAPbI₃的晶胞

Figure 2. (a) Schematic diagram of perovskite solar cell structure; (b) crystal structure of the cubic MAPbI₃ and FAPbI₃.

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图 3 (a) MgF₂, SnO₂:F, In₂O₃:Sn, TiO₂的折射率和消光系数; (b) FAPbI₃和MAPbI₃的折射率和消光系数

Figure 3. (a) The optical constants of the MgF₂, SnO₂:F, In₂O₃:Sn and TiO₂ used in the optical simulation; (b) FAPbI₃ and MAPbI₃ used in the optical simulation.

DownLoad: Full-Size Img PowerPoint

图 4 (a) 文献[21, 29]中报道的由Gass/FTO/TiO₂/MAPbI₃(FAPbI₃)/piro-OMeTAD/Au组成的MAPbI₃和FAPbI₃太阳电池的光学模型; (b) 光学导纳法和严格耦合波分析法计算MAPbI₃ = 400 nm的吸收率; (c) MAPbI₃太阳电池各层吸收率和外量子效率; (d) FAPbI₃和MAPbI₃ = 590 nm的吸收率; (e) 外量子效率和对应的积分电流密度; (f) J-V曲线

Figure 4. (a) Optical model constructed for a MAPbI₃ and FAPbI₃ solar cell consisting of Gass/FTO/TiO₂/MAPbI₃(FAPbI₃)/piro-OMeTAD/Au reported in Ref.[21, 29]; (b) calculation absorption coefficient of the optical admittance method and rigorous coupled-wave analysis method; (c) calculated A spectra of the component layers and EQE spectrum for theMAPbI₃ solar cell; (d) absorption coefficient of FAPbI₃ and MAPbI₃ = 590 nm; (e) the integrated photocurrents calculated from the overlap integral of the EQE spectra with the AM1.5 G solar emission are also shown; (f) J-V curves.

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图 5 (a) FTO和(b) ITO的透射率随厚度变化图; 电池的短路电流密度随(c) FTO和MAPbI₃以及(d) ITO和MAPbI₃厚度变化图; (e) 钙钛矿太阳电池的吸收光谱; (f) 积分电流密度随MAPbI₃厚度变化

Figure 5. Transmittance spectra of (a)FTO and (b)ITO; variations of short circuit current density with (c) FTO and MAPbI₃, and (d) ITO and MAPbI₃ thickness; (e) absorptance spectrum of the MAPbI₃ solar cell; (f) changes in the relationship of the integrated J_sc with MAPbI₃ thickness.

DownLoad: Full-Size Img PowerPoint

图 6 (a) FTO和(b) ITO的透射率随厚度变化图; 电池的短路电流密度随(c) FTO和FAPbI₃以及(d) ITO和FAPbI₃厚度的变化图; (e) 钙钛矿太阳电池的吸收光谱; (f) 积分电流密度随FAPbI₃厚度变化

Figure 6. Transmittance spectra of (a) FTO and (b) ITO; variations of short circuit current density with (c) FTO and FAPbI₃ and (d) ITO and FAPbI₃ thickness; (e) absorptance spectrum of the FAPbI₃ solar cell; (f) changes in the relationship of the integrated J_sc with FAPbI₃ thickness

DownLoad: Full-Size Img PowerPoint

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[2]	Chen H Y, Zhan Y, Xu C Y, Chen W J, Wang S H, Zhang M Y, Li Y W, Li Y F 2020 Adv. Funct. Mater. 30 2001788 Google Scholar
[3]	Li N X, Luo Y Q, Chen Z H, Niu X X, Zhang X, Lu J Z, Kumar R S, Jiang J K, Liu H F, Guo X, Lai B, Brocks G, Chen Q, Tao S X, Fenning D P, Zhou H P 2020 Joule 4 1 Google Scholar
[4]	Yi C Y, Luo J S, Meloni S, Boziki A, Astani N A, Gratzel C, Zakeeruddin S M, Rothlisberger U, Gratzel M 2016 Energy Environ. Sci. 9 656 Google Scholar
[5]	Huang Y, Li L, Liu Z H, Jiao H Y, He Y Q, Wang X G, Zhu R, Wang D, Sun J L, Chen Q, Zhou H P 2017 J. Mater. Chem. A 5 8537 Google Scholar
[6]	Li N X, Tao S X, Chen Y H, Niu X X, Onwudinanti C K, Hu C, Qiu Z W, Xu Z Q, Zheng G H J, Wang L G, Zhang Y, Li L, Liu H F, Lun Y Z, Hong J W, Wang X Y, Liu Y Q, Xie H P, Gao Y L, Bai Y, Yang S H, Brocks G, Chen Q, Zhou H P 2019 Nat. Energy 4 408 Google Scholar
[7]	Lu H Z, Liu Y H, Ahlawat P, Mishra A, Tress W R, Eickemeyer F T, Yang Y G, Fu F, Wang Z W, Avalos C E, Carlsen B I, Agarwalla A, Zhang X, Li X G, Zhan Y Q, Zakeeruddin S M, Emsley L, Rothlisberger U, Zheng L R, Hagfeldt A, Gratzel M 2020 Science 370 1
[8]	Yee K S 1966 IEEE Trans. Antennas Propag. 17 585
[9]	Sarkar S, Gupta V, Kumar M, Schubert J, Probst P T, Joseph J, Konig T A F 2019 ACS Appl. Mater. Interfaces 11 13752 Google Scholar
[10]	Berning J A, Berning P H 1960 J. Opt. Soc. Am. 50 813 Google Scholar
[11]	Darkwi A Y, Loke W K, Ibrahim K S 2000 Energy Mater. Sol. Cells 60 1 Google Scholar
[12]	Nakane A, Tampo H, Tamakoshi M, Fujimoto S, Kim K M, Kim S, Shibata H, Niki S, Fujiwara H 2016 J. Appl. Phys. 120 064505 Google Scholar
[13]	Young M, Traverse C J, Pandey R, Barr M C, Lunt R R 2013 Appl. Phys. Lett. 103 133304 Google Scholar
[14]	Ball J M, Stranks S D, Horantner M T, SHuttner S, Zhang W, Crossland E J W, Ramirez I, Riede M, Johnston M B, Friend R H, Snaith J H 2015 Energy Environ. Sci. 8 602 Google Scholar
[15]	Bush K A, Palmstrom A F, Yu Z S J, Boccard M, Cheacharoen R, Mailoa J P, McMeekin D P, Hoye R L Z, Bailie C D, Leijtens T, Peters I M, Minichetti M C, Rollston N, Prasanna R, Sofia S, Harwood D, Ma W, Moghadam F, Snaith H J, Buonassisi T, Holman Z C, Bent S F, McGehee M D 2017 Nat. Energy 2 17009 Google Scholar
[16]	Hsue Y C, Freeman A, Gu B Y 2005 Phys. Rev. B 72 195118 Google Scholar
[17]	Moharam M G, Grann E B, Pommet D A, Gaylord T K 1995 J. Opt. Soc. Am. A 12 1068 Google Scholar
[18]	Li L F 1996 J. Opt. Soc. Am. A 13 1870 Google Scholar
[19]	Lyndin N M, Parriaux O, Tishchenko A V 2007 J. Opt. Soc. Am. A 24 3781 Google Scholar
[20]	Dewan R, Vasilev I, Jovanov V, Knipp D 2011 J. Appl. Phys. 110 013101 Google Scholar
[21]	Yang W S, Noh J H, Jeon N J, Kim Y C, Ryu S, Seo J, Seok S I 2015 Science 348 1234 Google Scholar
[22]	Pham N D, Zhang C M, Tiong V T, Zhang S L, Will G, Bou A, Bisquert J, Shaw P E, Du A J, Wilson G J, Wang H X 2019 Adv. Funct. Mater. 29 1806479 Google Scholar
[23]	张晨, 张海玉, 郝会颖, 董敬敬, 邢杰, 刘昊, 石磊, 仲婷婷, 唐坤鹏, 徐翔 2020 物理学报 69 178101 Google Scholar Zhang C, Zhang H Y, Hao H Y, Dong J J, Xing J, Liu H, Shi L, Zhong T T, Tang K P, Xu X 2020 Acta Phys. Sin. 69 178101 Google Scholar
[24]	Tavakoli M M, Yadav P, Tavakoli R, Kong J 2018 Adv. Energy Mater. 8 1800794 Google Scholar
[25]	Lin R X, Xiao K, Qin Z Y, Han Q L, Zhang C F, Wei M Y, Saidaminov M I, Gao Y, Xu J, Xiao M, Li A D, Zhu J, Sargent E H, Tan H R 2019 Nat. Energy 4 864 Google Scholar
[26]	Jeong M Y, Choi I W, Go E M, Cho Y J, Kim M J, Lee B K, Jeong S H, Jo Y Y, Choi H W, Lee J Y, Bae J H, Kwak S K, Kim D S, Yang C D 2020 Science 369 1615 Google Scholar
[27]	毕富珍, 郑晓, 任志勇 2019 物理化学学报 35 69 Google Scholar Bi F Z, Zheng X, Reng Z Y 2019 Acta Phys.-Chim. Sin. 35 69 Google Scholar
[28]	Barraud L, Holman Z C, Badel N, Reiss P, Descoeudres A, Battaglia C, Wolf S D, Ballif C 2013 Sol. Energy Mater. Sol. Cells 115 151 Google Scholar
[29]	Shirayama M, Kadowaki H, Miyadera M, Sugita T, Tamakoshi M, Kato M, Fujiseki T, Murata D, Hara S, Murakami T N, Fujimoto S, Chikamatsu M, Fujiwara H 2016 Phys. Rev. Appl. 5 014012 Google Scholar
[30]	Rodríguez-de Marcos L V, Larruquert J I, Méndez J A, Aznárez J A 2017 Opt. Mater. Express 7 989 Google Scholar
[31]	Sarkar S, Gupta V, Kumar M, Schubert J, Probst P T, Joseph J, König T A F 2019 ACS Applied Material Interfaces 11 13752
[32]	Ball J M, Stranks S D, Horantner M T, SHuttner S, Zhang W, Crossland E J W, Ramirez I, Riede M, Johnston M B, Friend R H, Snaith J H 2015 Energy and Environ. Sci. 8 602
[33]	卢辉东, 韩红静, 刘杰 2021 物理学报 70 036301 Google Scholar Lu H D, Han H J, Liu J 2021 Acta Phys. Sin. 70 036301 Google Scholar
[34]	Rosenblatt G, Simkhovich B, Bartal G, Orenstein M 2020 Phys. Rev. X 10 011071
[35]	Baikie T, Fang Y, Kadro J M, Schreyer M, Wei F, Mhaisalkar S G, Gratzel M and White T J 2013 J. Mater. Chem. A 1 5628 Google Scholar
[36]	Eperon G E, Stranks S D, Menelaou C, Johnston M B, Herz L M, Snaith H J 2014 Energy Environ 7 982 Google Scholar

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