离子液体界面修饰的高效稳定FAPbI3钙钛矿太阳能电池

doi:10.3866/PKU.WHXB202303057

Abstract

Abstract:

Formamidinium lead iodide (FAPbI₃) perovskite solar cells (PSCs) have attracted significant attention owing to their outstanding optoelectronic properties, but long-term device stability is still a crucial issue related to FAPbI₃ PSCs. FAPbI₃ undergoes phase transition from black perovskite phase to yellow non-perovskite phase at room temperature, and moisture triggers this phase transition. One of the most widely used methods to improve the stability of PSCs is interface engineering. Being green functional solvents, ionic liquids (ILs) have been regarded as potential alternatives to toxic interface modifiers, thereby increasing their commercial viability and accelerating their adoption in the renewable energy market. In this study, an IL, 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM[BF₄]) was used to modify the interface between the electron transport layer and perovskite layer due to its low volatility, low toxicity, high conductivity, and high thermal stability. The introduction of IL not only reduces interface defects but also improves perovskite film quality. Density functional theory (DFT) calculations show that there is a strong interface interaction between the IL and perovskite surface that is beneficial to decrease the density of defect states of the perovskite surface and stabilize the perovskite lattice. Apart from the defects in the perovskite film, solution-processed SnO₂ also suffers from surface imperfections. Defects on the SnO₂ surface generate defect states, which cause band alignment issues and stability issues. DFT calculations show that the surface gap states with IL are smaller than those without IL. Such weakened surface gap states indicate reduced carrier recombination at the surface region, which improves the device performance. Consequently, we achieved a power conversion efficiency exceeding 22% for the IL-modified FAPbI₃ PSCs (control ~21%). After storing for over 1800 h in a dry box (relative humidity (RH) ~20%), the champion device retained ~90% of its initial efficiency, while the control devices degraded into non-perovskite yellow hexagonal phase (δ-FAPbI₃).

Key words: FAPbI₃, Phase stability, SnO₂, Perovskite solar cells, Ionic liquid, Interface engineering

Yameen Ahmed, Xiangxiang Feng, Yuanji Gao, Yang Ding, Caoyu Long, Mustafa Haider, Hengyue Li, Zhuan Li, Shicheng Huang, Makhsud I. Saidaminov, Junliang Yang. Interface Modification by Ionic Liquid for Efficient and Stable FAPbI₃ Perovskite Solar Cells[J]. Acta Phys. -Chim. Sin. 2024, 40(6), 2303057. doi: 10.3866/PKU.WHXB202303057

Figures/Tables 5

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References 55

1	Wang K. ; Wu C. ; Hou Y. ; Yang D. ; Ye T. ; Yoon J. ; Sanghadasa M. ; Priya S. Energy Environ. Sci 2020, 13, 3412. doi: 10.1039/D0EE01967D
2	Brenner T. M. ; Egger D. A. ; Kronik L. ; Hodes G. ; Cahen D. Nat. Rev. Mater 2016, 1, 15007. doi: 10.1038/natrevmats.2015.7
3	Yang D. ; Zhang X. ; Hou Y. ; Wang K. ; Ye T. ; Yoon J. ; Wu C. ; Sanghadasa M. ; Liu S. F. ; Priya S. Nano Energy 2021, 84, 105934. doi: 10.1016/j.nanoen.2021.105934
4	Wright A. D. ; Verdi C. ; Milot R. L. ; Eperon G. E. ; Pérez-Osorio M. A. ; Snaith H. J. ; Giustino F. ; Johnston M. B. ; Herz L. M. Nat. Commun 2016, 7, 11755. doi: 10.1038/ncomms11755
5	Gao Y. ; Huang K. ; Long C. ; Ding Y. ; Chang J. ; Zhang D. ; Etgar L. ; Liu M. ; Zhang J. ; Yang J. ACS Energy Lett 2022, 7, 1412. doi: 10.1021/acsenergylett.1c02768
6	Huang K. ; Feng X. ; Li H. ; Long C. ; Liu B. ; Shi J. ; Meng Q. ; Weber K. ; Duong T. ; Yang J. Adv. Sci 2022, 9, 2204163. doi: 10.1002/advs.202204163
7	Ni Z. ; Bao C. ; Liu Y. ; Jiang Q. ; Wu W.-Q. ; Chen S. ; Dai X. ; Chen B. ; Hartweg B. ; Yu Z. Science 2020, 367, 1352. doi: 10.1126/science.aba0893
8	Sha Y. ; Bi E. ; Zhang Y. ; Ru P. ; Kong W. ; Zhang P. ; Yang X. ; Chen H. ; Han L. Adv. Energy Mater 2021, 11, 2003301. doi: 10.1002/aenm.202003301
9	Yu X. ; Li Z. ; Sun X. ; Zhong C. ; Zhu Z. ; Jen A. K.-Y. Nano Energy 2021, 82, 105701. doi: 10.1016/j.nanoen.2020.105701
10	Yoo J. J. ; Seo G. ; Chua M. R. ; Park T. G. ; Lu Y. ; Rotermund F. ; Kim Y.-K. ; Moon C. S. ; Jeon N. J. ; Correa-Baena J.-P. Nature 2021, 590, 587. doi: 10.1038/s41586-021-03285-w
11	Huang K. ; Peng Y. ; Gao Y. ; Shi J. ; Li H. ; Mo X. ; Huang H. ; Gao Y. ; Ding L. ; Yang J. Adv. Energy Mater 2019, 9, 1901419. doi: 10.1002/aenm.201901419
12	Grä tzel M. Nat. Mater 2014, 13, 838. doi: 10.1038/nmat4065
13	Yang S. ; Wang Y. ; Liu P. ; Cheng Y.-B. ; Zhao H. J. ; Yang H. G. Nat. Energy 2016, 1, 15016. doi: 10.1038/NENERGY.2015.16
14	Feng X. ; Liu B. ; Peng Y. ; Gu C. ; Bai X. ; Long M. ; Cai M. ; Tong C. ; Han L. ; Yang J. Small 2022, 18, 2201831. doi: 10.1002/smll.202201831
15	Eperon G. E. ; Stranks S. D. ; Menelaou C. ; Johnston M. B. ; Herz L. M. ; Snaith H. J. Energy Environ. Sci 2014, 7, 982. doi: 10.1039/c3ee43822h
16	Han Q. ; Bae S. H. ; Sun P. ; Hsieh Y. T. ; Yang Y. ; Rim Y. S. ; Zhao H. ; Chen Q. ; Shi W. ; Li G. Adv. Mater 2016, 28, 2253. doi: 10.1002/adma.201505002
17	Park J. ; Kim J. ; Yun H.-S. ; Paik M. J. ; Noh E. ; Mun H. J. ; Kim M. G. ; Shin T. J. ; Seok S. I. Nature 2023, 616, 724. doi: 10.1038/s41586-023-05825-y
18	Zhang Y. ; Kong T. ; Xie H. ; Song J. ; Li Y. ; Ai Y. ; Han Y. ; Bi D. ACS Energy Lett 2022, 7, 929. doi: 10.1021/acsenergylett.1c02545
19	Li Y. ; Liu F. Z. ; Waqas M. ; Leung T. L. ; Tam H. W. ; Lan X. Q. ; Tu B. ; Chen W. ; Djurišić A. B. ; He Z. B. Small Methods 2018, 2, 1700387. doi: 10.1002/smtd.201700387
20	Liu Z. ; Liu F. ; Duan C. ; Yuan L. ; Zhu H. ; Li J. ; Wen Q. ; Waterhouse G. I. ; Yang X. ; Yan K. Chem. Eng. J 2021, 419, 129482. doi: 10.1016/j.cej.2021.129482
21	Gao Y. ; Feng X. ; Chang J. ; Long C. ; Ding Y. ; Li H. ; Huang K. ; Liu B. ; Yang J. Appl. Phys. Lett 2022, 121, 073902. doi: 10.1063/5.0097939
22	Yang D. ; Yang R. ; Wang K. ; Wu C. ; Zhu X. ; Feng J. ; Ren X. ; Fang G. ; Priya S. ; Liu S. F. Nat. Commun 2018, 9, 3239. doi: 10.1038/s41467-018-05760-x
23	Zhou H. ; Chen Q. ; Li G. ; Luo S. ; Song T.-B. ; Duan H.-S. ; Hong Z. ; You J. ; Liu Y. ; Yang Y. Science 2014, 345, 542. doi: 10.1126/science.1254050
24	Jiang Q. ; Zhang X. ; You J. Small 2018, 14, 1801154. doi: 10.1002/smll.201801154
25	Chen J. ; Zhao X. ; Kim S. G. ; Park N. G. Adv. Mater 2019, 31, 1902902. doi: 10.1002/adma.201902902
26	Gao Z. W. ; Wang Y. ; Liu H. ; Sun J. ; Kim J. ; Li Y. ; Xu B. ; Choy W. C. Adv. Funct. Mater 2021, 31, 2101438. doi: 10.1002/adfm.202101438
27	Zhang Z. ; Fang Z. ; Guo T. ; Zhao R. ; Deng Z. ; Zhang J. ; Shang M. ; Liu X. ; Liu J. ; Huang L. Chem. Eng. J 2022, 432, 134311. doi: 10.1016/j.cej.2021.134311
28	Ai Y. ; Zhang Y. ; Song J. ; Kong T. ; Li Y. ; Xie H. ; Bi D. J. Phys. Chem. Lett 2021, 12, 10567. doi: 10.1021/acs.jpclett.1c03002
29	Wageh S. ; Al-Ghamdi A. A. ; Zhao L. Acta Phys. -Chim. Sin 2022, 38, 2111009.
	WagehS.; Al-GhamdiA. A.; 赵丽. 物理化学学报, 2022, 38, 2111009. doi: 10.3866/PKU.WHXB202111009
30	Lu Y. ; Ge Y. ; Sui M. L. Acta Phys. -Chim. Sin 2022, 38, 2007088.
	卢岳; 葛杨; 隋曼龄. 物理化学学报, 2022, 38, 2007088. doi: 10.3866/PKU.WHXB202007088
31	Zhu M. F. ; Xia Y. R. ; Qin L. N. ; Zhang K. Q. ; Liang J. C. ; Zhao C. ; Hong D. C. ; Jiang M. H. ; Song X. M. ; Wei J. ; et al Nano Res. 2023, 16, 6849. doi: 10.1007/s12274-023-5403-x
32	Xia Y. R. ; Zhao C. ; Zhao P. Y. ; Mao L. Y. ; Ding Y. C. ; Hong D. C. ; Tian Y. X. ; Yan W. S. ; Jin Z. J. Power Sources 2021, 494, 229781. doi: 10.1016/j.jpowsour.2021.229781
33	Liang J. ; Wang C. X. ; Zhao P. Y. ; Lu Z. P. ; Ma Y. ; Xu Z. R. ; Wang Y. R. ; Zhu H. F. ; Hu Y. ; Zhu G. Y. ; et al Nanoscale 2017, 9, 11841. doi: 10.1039/c7nr03530f
34	Xia Y. ; Zhu M. ; Qin L. ; Zhao C. ; Hong D. ; Tian Y. ; Yan W. ; Jin Z. Energy Mater. 2023, 3, 300004. doi: 10.20517/energymater.2022.55
35	Wang F. ; Ge C. Y. ; Duan D. W. ; Lin H. R. ; Li L. ; Naumov P. ; Hu H. L. Small Struct 2022, 3, 2200048. doi: 10.1002/sstr.202200048
36	Yang D. ; Zhou X. ; Yang R. X. ; Yang Z. ; Yu W. ; Wang X. L. ; Li C. ; Liu S. Z. ; Chang R. P. H. Energy Environ. Sci 2016, 9, 3071. doi: 10.1039/c6ee02139e
37	Yang D. ; Yang R. X. ; Ren X. D. ; Zhu X. J. ; Yang Z. ; Li C. ; Liu S. Z. Adv. Mater 2016, 28, 5206. doi: 10.1002/adma.201600446
38	Wu Q. L. ; Zhou W. R. ; Liu Q. ; Zhou P. C. ; Chen T. ; Lu Y. L. ; Qiao Q. Q. ; Yang S. F. ACS Appl. Mater. Interfaces 2016, 8, 34464. doi: 10.1021/acsami.6b12683
39	Ye X. ; Cai H. ; Xu T. ; Ni J. ; Zhang J. J. Chem. Phys. 2023, 158, 134706. doi: 10.1063/5.0139669
40	Caprioglio P. ; Cruz D. S. ; Caicedo-Dávila S. ; Zu F. ; Sutanto A. A. ; Peñ a-Camargo F. ; Kegelmann L. ; Meggiolaro D. ; Gregori L. ; Wolff C. M. Energy Environ. Sci 2021, 14, 4508. doi: 10.1039/D1EE00869B
41	Bai S. ; Da P. ; Li C. ; Wang Z. ; Yuan Z. ; Fu F. ; Kawecki M. ; Liu X. ; Sakai N. ; Wang J. T.-W. Nature 2019, 571, 245. doi: 10.1038/s41586-019-1357-2
42	Deng X. ; Xie L. ; Wang S. ; Li C. ; Wang A. ; Yuan Y. ; Cao Z. ; Li T. ; Ding L. ; Hao F. Chem. Eng. J. 2020, 398, 125594. doi: 10.1016/j.cej.2020.125594
43	Hafner J. J. Comput. Chem 2008, 29, 2044. doi: 10.1002/jcc.21057
44	Perdew J. P. ; Burke K. ; Ernzerhof M. Phys. Rev. Lett 1996, 77, 3865. doi: 10.1103/PhysRevLett.77.3865
45	Csonka G. I. ; Perdew J. P. ; Ruzsinszky A. ; Philipsen P. H. ; Lebègue S. ; Paier J. ; Vydrov O. A. ; Ángyán J. G. Phys. Rev. B 2009, 79, 155107. doi: 10.1103/PhysRevB.79.155107
46	Grimme S. ; Antony J. ; Ehrlich S. ; Krieg H. J. Chem. Phys 2010, 132, 154104. doi: 10.1063/1.3382344
47	Chen X. ; Xu W. ; Shi Z. ; Pan G. ; Zhu J. ; Hu J. ; Li X. ; Shan C. ; Song H. Nano Energy 2021, 80, 105564. doi: 10.1016/j.nanoen.2020.105564
48	Södergren S. ; Siegbahn H. ; Rensmo H. ; Lindström H. ; Hagfeldt A. ; Lindquist S.-E. J. Phys. Chem. B 1997, 101, 3087. doi: 10.1021/jp9639399
49	Song S. ; Kang G. ; Pyeon L. ; Lim C. ; Lee G.Y. ; Park T. ; Choi J. ACS Energy Lett. 2017, 2, 2667. doi: 10.1021/acsenergylett.7b00888
50	Liu D. ; Li S. ; Zhang P. ; Wang Y. ; Zhang R. ; Sarvari H. ; Wang F. ; Wu J. ; Wang Z. ; Chen Z. D. Nano Energy 2017, 31, 462. doi: 10.1016/j.nanoen.2016.11.028
51	Min H. ; Lee D. Y. ; Kim J. ; Kim G. ; Lee K. S. ; Kim J. ; Paik M. J. ; Kim Y. K. ; Kim K. S. ; Kim M. G. Nature 2021, 598, 444. doi: 10.1038/s41586-021-03964-8
52	Bu T. ; Li J. ; Zheng F. ; Chen W. ; Wen X. ; Ku Z. ; Peng Y. ; Zhong J. ; Cheng Y.-B. ; Huang F. Nat. Commun 2018, 9, 4609. doi: 10.1038/s41467-018-07099-9
53	Choi K. ; Lee J. ; Kim H. I. ; Park C. W. ; Kim G.-W. ; Choi H. ; Park S. ; Park S. A. ; Park T. Energy Environ. Sci 2018, 11, 3238. doi: 10.1039/c8ee02242a
54	Guarnera S. ; Abate A. ; Zhang W. ; Foster J. M. ; Richardson G. ; Petrozza A. ; Snaith H. J. J. Phys. Chem. Lett. 2015, 6, 432. doi: 10.1021/jz502703p
55	Xiong Z. ; Lan L. ; Wang Y. ; Lu C. ; Qin S. ; Chen S. ; Zhou L. ; Zhu C. ; Li S. ; Meng L. ACS Energy Lett 2021, 6, 3824. doi: 10.1021/acsenergylett.1c01763

	J_sc/(mA∙cm⁻²)	V_oc/V	FF/%	PCE/%
Control (champion)	23.86	1.07	80.01	20.55
Control (average)	23.87 ± 0.34	1.06 ± 0.02	78.14 ± 1.87	19.8 ± 0.57
Target (champion)	24.44	1.10	81.39	22.04
Target (average)	24.1 ± 0.23	1.08 ± 0.01	80.52 ± 0.72	21.14 ± 0.41

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Interface Modification by Ionic Liquid for Efficient and Stable FAPbI₃ Perovskite Solar Cells

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