F-containing cations improve the performance of perovskite solar cells

Qin Zhou; Chuantian Zuo; Zilong Zhang; Peng Gao; Liming Ding

doi:10.1088/1674-4926/43/1/010202

J. Semicond. > 2022, Volume 43?>?Issue 1?> 010202

RESEARCH HIGHLIGHTS

F-containing cations improve the performance of perovskite solar cells

Qin Zhou^{1, 3, 4}, Chuantian Zuo², Zilong Zhang^{1, 4}, Peng Gao^{1, 3, 4,} and Liming Ding^2,

+ Author Affiliations

1. Key Laboratory of Design and Assembly of Functional Nanostructures (CAS), Fujian Institute of Research on the Structure of Matter (CAS), Fuzhou 350002, China
2. Center for Excellence in Nanoscience (CAS), Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS), National Center for Nanoscience and Technology, Beijing 100190, China
3. University of Chinese Academy of Sciences, Beijing 100049, China
4. Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute (CAS), Xiamen 361021, China

Author Bio:

Qin Zhou received her MS in Chemical Engineering and Technology from Tianjin University in 2019. Now she is a PhD student at University of Chinese Academy of Sciences under the supervision of Prof. Peng Gao. Her research focuses on the application of fluorinated materials in perovskite solar cells.

Chuantian Zuo received his PhD in 2018 from National Center for Nanoscience and Technology (CAS) under the supervision of Professor Liming Ding. Then he did postdoctoral research in CSIRO, Australia. Currently, he is an assistant professor in Liming Ding Group. His research focuses on innovative fabrication techniques for perovskite solar cells.

Zilong Zhang got his MS from Jilin University in 2011. Then he worked at Changchun Institute of Applied Chemistry (CAS). In 2019, he joined Peng Gao Group at Xiamen Institute of Rare Earth Materials as an assistant researcher. His research focuses on conjugated polymers and related applications in perovskite solar cells.

Peng Gao obtained his PhD from Max-Planck Institute for Polymer Research (Mainz, Germany) in Prof. Klaus Müllen group. In 2010, he joined Gr?tzel Group at EPFL (Lausanne, Switzerland) as a postdoc and studied dye-sensitized and perovskite solar cells. From 2015, he worked with Prof. Nazeeruddin at EPFL Sion Energy Polis (Sion, Switzerland) as a group leader on perovskite solar cells. He joined Fujian Institute of Research on the Structure of Matter (CAS) in 2017. His research focuses on the application of rare-earth elements in organic optoelectronics and energy conversion.

Liming Ding got his PhD from University of Science and Technology of China (was a joint student at Changchun Institute of Applied Chemistry, CAS). He started his research on OSCs and PLEDs in Olle Ingan?s Lab in 1998. Later on, he worked at National Center for Polymer Research, Wright-Patterson Air Force Base and Argonne National Lab (USA). He joined Konarka as a Senior Scientist in 2008. In 2010, he joined National Center for Nanoscience and Technology as a full professor. His research focuses on innovative materials and devices. He is RSC Fellow, the nominator for Xplorer Prize, and the Associate Editors for Science Bulletin and Journal of Semiconductors.

Corresponding author: Peng Gao, peng.gao@fjirsm.ac.cn; Liming Ding, ding@nanoctr.cn

DOI: 10.1088/1674-4926/43/1/010202

References

[1]	Mohd Yusoff A, Gao P, Nazeeruddin M. Recent progress in organohalide lead perovskites for photovoltaic and optoelectronic applications. Coord Chem Rev, 2018, 373, 258 doi: 10.1016/j.ccr.2017.10.021
[2]	NERL, National renewable energy laboratory. Best research-cell efficiencies. 2020
[3]	Wang Z, Shi Z, Li T, et al. Stability of perovskite solar cells:a prospective on the substitution of the A cation and X anion. Angew Chem Int Ed, 2017, 56, 1190 doi: 10.1002/anie.201603694
[4]	Cheng Y, Ding L. Pushing commercialization of perovskite solar cells by improving their intrinsic stability. Energy Environ Sci, 2021, 14, 3233 doi: 10.1039/D1EE00493J
[5]	Cheng Y, Yang Q D, Ding L. Encapsulation for perovskite solar cells. Sci Bull, 2021, 66, 100 doi: 10.1016/j.scib.2020.08.029
[6]	Akin S, Arora N, Zakeeruddin S M, et al. New strategies for defect passivation in high-efficiency perovskite solar cells. Adv Energy Mater, 2020, 10, 1903090 doi: 10.1002/aenm.201903090
[7]	Yang X, Fu Y, Su R, et al. Superior carrier lifetimes exceeding 6 μs in polycrystalline halide perovskites. Adv Mater, 2020, 32, 2002585 doi: 10.1002/adma.202002585
[8]	Liu G, Zheng H, Zhang L, et al. Tailoring multifunctional passivation molecules with halogen functional groups for efficient and stable perovskite photovoltaics. Chem Eng J, 2021, 407, 127204 doi: 10.1016/j.cej.2020.127204
[9]	Zuo C, Ding L. An 80.11% FF record achieved for perovskite solar cells by using the NH₄Cl additive. Nanoscale, 2014, 6, 9935 doi: 10.1039/c4nr02425g
[10]	Liu X, Yu Z, Wang T, et al. Full defects passivation enables 21% efficiency perovskite solar cells operating in air. Adv Energy Mater, 2020, 10, 2001958 doi: 10.1002/aenm.202001958
[11]	Yu B, Zuo C, Shi J, et al. Defect engineering on all-inorganic perovskite solar cells for high efficiency. J Semicond, 2021, 42, 050203 doi: 10.1088/1674-4926/42/5/050203
[12]	Yang J, Liu C, Cai C, et al. High-performance perovskite solar cells with excellent humidity and thermo-stability via fluorinated perylenediimide. Adv Energy Mater, 2019, 9, 1900198 doi: 10.1002/aenm.201900198
[13]	Jiang X, Chen S, Li Y, et al. Direct surface passivation of perovskite film by 4-fluorophenethylammonium iodide toward stable and efficient perovskite solar cells. ACS Appl Mater Interfaces, 2021, 13, 2558 doi: 10.1021/acsami.0c17773
[14]	Gao P, Mohd Yusoff A, Nazeeruddin M. Dimensionality engineering of hybrid halide perovskite light absorbers. Nat Commun, 2018, 9, 5028 doi: 10.1038/s41467-018-07382-9
[15]	Hu Y, Schlipf J, Wussler M, et al. Hybrid perovskite/perovskite heterojunction solar cells. ACS Nano, 2016, 10, 5999 doi: 10.1021/acsnano.6b01535
[16]	Lin Y, Bai Y, Fang Y, et al. Enhanced thermal stability in perovskite solar cells by assembling 2D/3D stacking structures. J Phys Chem Lett, 2018, 9, 654 doi: 10.1021/acs.jpclett.7b02679
[17]	Wang Z, Lin Q, Chmiel F P, et al. Efficient ambient-air-stable solar cells with 2D-3D heterostructured butylammonium-caesium-formamidinium lead halide perovskites. Nat Energy, 2017, 2, 17135 doi: 10.1038/nenergy.2017.135
[18]	Cho K T, Grancini G, Lee Y, et al. Selective growth of layered perovskites for stable and efficient photovoltaics. Energy Environ Sci, 2018, 11, 952 doi: 10.1039/C7EE03513F
[19]	Chen P, Bai Y, Wang S, et al. In situ growth of 2D perovskite capping layer for stable and efficient perovskite solar cells. Adv Funct Mater, 2018, 28, 1706923 doi: 10.1002/adfm.201706923
[20]	Dalvi V H, Rossky P J. Molecular origins of fluorocarbon hydrophobicity. Proc Natl Acad Sci, 2010, 107, 13603 doi: 10.1073/pnas.0915169107
[21]	Bi D, Gao P, Scopelliti R, et al. High-performance perovskite solar cells with enhanced environmental stability based on amphiphile-modified CH₃NH₃PbI₃. Adv Mater, 2016, 28, 2910 doi: 10.1002/adma.201505255
[22]	Slavney A H, Smaha R W, Smith I C, et al. Chemical approaches to addressing the instability and toxicity of lead-halide perovskite absorbers. Inorg Chem, 2017, 5646 doi: 10.1021/acs.inorgchem.6b01336
[23]	Zhou Q, Liang L, Hu J, et al. High-performance perovskite solar cells with enhanced environmental stability based on a (p-FC₆H₄C₂H₄NH₃)₂[PbI₄] capping layer. Adv Energy Mater, 2019, 9, 1802595 doi: 10.1002/aenm.201802595
[24]	Zhang F, Kim D H, Lu H, et al. Enhanced charge transport in 2D perovskites via fluorination of organic cation. J Am Chem Soc, 2019, 141, 5972 doi: 10.1021/jacs.9b00972
[25]	Hu J, Oswald I W H, Stuard S J, et al. Synthetic control over orientational degeneracy of spacer cations enhances solar cell efficiency in two-dimensional perovskites. Nat Commun, 2019, 10, 1276 doi: 10.1038/s41467-019-08980-x
[26]	Zhou Q, Xiong Q, Zhang Z, et al. Fluoroaromatic cation-assisted planar junction perovskite solar cells with improved V_OC and stability: the role of fluorination position. Sol RRL, 2020, 4, 2000107 doi: 10.1002/solr.202000107
[27]	Zhou Q, Gao Y, Cai C, et al. Dually-passivated perovskite solar cells with reduced voltage loss and increased super oxide resistance. Angew Chem Int Ed, 2021, 60, 8303 doi: 10.1002/anie.202017148
[28]	Liu Y, Akin S, Pan L, et al. Ultrahydrophobic 3D/2D fluoroarene bilayer-based water-resistant perovskite solar cells with efficiencies exceeding 22%. Sci Adv, 2019, 5, eaaw2543 doi: 10.1126/sciadv.aaw2543
[29]	Paek S, Roldán-Carmona C, Cho K T, et al. Molecular design and operational stability: toward stable 3D/2D perovskite interlayers. Adv Sci, 2020, 7, 2001014 doi: 10.1002/advs.202001014
[30]	Qiu Y, Liang J, Zhang Z, et al. Tuning the interfacial dipole moment of spacer cations for charge extraction in efficient and ultrastable perovskite solar cells. J Phys Chem C, 2021, 125, 1256 doi: 10.1021/acs.jpcc.0c09606
[31]	Wang L, Zhou Q, Zhang Z, et al. A guide to use fluorinated aromatic bulky cations for stable and high-performance 2D/3D perovskite solar cells: the more fluorination the better. J Energy Chem, 2022, 64, 179 doi: 10.1016/j.jechem.2021.04.063
[32]	Zhu H, Ren Y, Pan L, et al. Synergistic effect of fluorinated passivator and hole transport dopant enables stable perovskite solar cells with an efficiency near 24%. J Am Chem Soc, 2021, 143, 3231 doi: 10.1021/jacs.0c12802
[33]	Wang X, Rakstys K, Jack K, Jet al. Engineering fluorinated-cation containing inverted perovskite solar cells with an efficiency of > 21% and improved stability towards humidity. Nat Commun, 2021, 12, 52 doi: 10.1038/s41467-020-20272-3
[34]	Shi P P, Lu S Q, Song X J, et al. Two-dimensional organic-inorganic perovskite ferroelectric semiconductors with fluorinated aromatic spacers. J Am Chem Soc, 2019, 141, 18334 doi: 10.1021/jacs.9b10048
[35]	Jiang Y, Cui M, Li S, et al. Reducing the impact of Auger recombination in quasi-2D perovskite light-emitting diodes. Nat Commun, 2021, 12, 336 doi: 10.1038/s41467-020-20555-9

Fig. 1. (Color online) (a) Energy level diagrams for the devices with pristine 3D perovskite, 2D/3D bilayer perovskite, and pFPEAI passivated perovskite. (b) Calculated electrostatic potential surface (EPS) and electric dipole moment (EDM) for the ammonium salts. (c) Crystal structures of 2D perovskites. From left to right, (pFPEA)₂PbI₄, (mFPEA)₂PbI₄, (oFPEA)₂PbI₄, (F₂PEA)₂PbI₄, (F₃PEA)₂PbI₄, (F₅PEA)₂PbI₄.

DownLoad: Full-Size Img PowerPoint

Fig. 2. (Color online) (a) DFT calculation for slab surface energy. From left to right, 3D perovskites, 2D (PEA)₂PbI₄ perovskites, 2D (pFPEA)₂PbI₄ perovskites. Reproduced with permission^[23], Copyright 2019, Wiley-VCH. (b) The formation energy for PEA₂PbI₄, oFPEA₂PbI₄, mFPEA₂PbI₄, and pFPEA₂PbI₄. Reproduced with permission^[25], Copyright 2019, Nature Publishing Group. (c) XRR profiles for 2D, 3D, and 2D/3D perovskite films. (d) GIXD data for 2D, 3D, and 2D/3D perovskite films. Reproduced with permission^[28], Copyright 2019, American Association for the Advancement of Science. (e) F 1s XPS depth profiles of the perovskite film with TFMBAI. Reproduced with permission^[32], Copyright 2021, ACS Publications. (f) Electrostatic potential at the surface of 2D perovskites containing FPEAI and 5FBzAI cations. (g) 2D-GIWAXS plots and azimuthally integrated intensity of pristine 3D and 2D/3D films. Reproduced with permission^[29], Copyright 2020, Wiley-VCH.

DownLoad: Full-Size Img PowerPoint

[1]	Mohd Yusoff A, Gao P, Nazeeruddin M. Recent progress in organohalide lead perovskites for photovoltaic and optoelectronic applications. Coord Chem Rev, 2018, 373, 258 doi: 10.1016/j.ccr.2017.10.021
[2]	NERL, National renewable energy laboratory. Best research-cell efficiencies. 2020
[3]	Wang Z, Shi Z, Li T, et al. Stability of perovskite solar cells:a prospective on the substitution of the A cation and X anion. Angew Chem Int Ed, 2017, 56, 1190 doi: 10.1002/anie.201603694
[4]	Cheng Y, Ding L. Pushing commercialization of perovskite solar cells by improving their intrinsic stability. Energy Environ Sci, 2021, 14, 3233 doi: 10.1039/D1EE00493J
[5]	Cheng Y, Yang Q D, Ding L. Encapsulation for perovskite solar cells. Sci Bull, 2021, 66, 100 doi: 10.1016/j.scib.2020.08.029
[6]	Akin S, Arora N, Zakeeruddin S M, et al. New strategies for defect passivation in high-efficiency perovskite solar cells. Adv Energy Mater, 2020, 10, 1903090 doi: 10.1002/aenm.201903090
[7]	Yang X, Fu Y, Su R, et al. Superior carrier lifetimes exceeding 6 μs in polycrystalline halide perovskites. Adv Mater, 2020, 32, 2002585 doi: 10.1002/adma.202002585
[8]	Liu G, Zheng H, Zhang L, et al. Tailoring multifunctional passivation molecules with halogen functional groups for efficient and stable perovskite photovoltaics. Chem Eng J, 2021, 407, 127204 doi: 10.1016/j.cej.2020.127204
[9]	Zuo C, Ding L. An 80.11% FF record achieved for perovskite solar cells by using the NH₄Cl additive. Nanoscale, 2014, 6, 9935 doi: 10.1039/c4nr02425g
[10]	Liu X, Yu Z, Wang T, et al. Full defects passivation enables 21% efficiency perovskite solar cells operating in air. Adv Energy Mater, 2020, 10, 2001958 doi: 10.1002/aenm.202001958
[11]	Yu B, Zuo C, Shi J, et al. Defect engineering on all-inorganic perovskite solar cells for high efficiency. J Semicond, 2021, 42, 050203 doi: 10.1088/1674-4926/42/5/050203
[12]	Yang J, Liu C, Cai C, et al. High-performance perovskite solar cells with excellent humidity and thermo-stability via fluorinated perylenediimide. Adv Energy Mater, 2019, 9, 1900198 doi: 10.1002/aenm.201900198
[13]	Jiang X, Chen S, Li Y, et al. Direct surface passivation of perovskite film by 4-fluorophenethylammonium iodide toward stable and efficient perovskite solar cells. ACS Appl Mater Interfaces, 2021, 13, 2558 doi: 10.1021/acsami.0c17773
[14]	Gao P, Mohd Yusoff A, Nazeeruddin M. Dimensionality engineering of hybrid halide perovskite light absorbers. Nat Commun, 2018, 9, 5028 doi: 10.1038/s41467-018-07382-9
[15]	Hu Y, Schlipf J, Wussler M, et al. Hybrid perovskite/perovskite heterojunction solar cells. ACS Nano, 2016, 10, 5999 doi: 10.1021/acsnano.6b01535
[16]	Lin Y, Bai Y, Fang Y, et al. Enhanced thermal stability in perovskite solar cells by assembling 2D/3D stacking structures. J Phys Chem Lett, 2018, 9, 654 doi: 10.1021/acs.jpclett.7b02679
[17]	Wang Z, Lin Q, Chmiel F P, et al. Efficient ambient-air-stable solar cells with 2D-3D heterostructured butylammonium-caesium-formamidinium lead halide perovskites. Nat Energy, 2017, 2, 17135 doi: 10.1038/nenergy.2017.135
[18]	Cho K T, Grancini G, Lee Y, et al. Selective growth of layered perovskites for stable and efficient photovoltaics. Energy Environ Sci, 2018, 11, 952 doi: 10.1039/C7EE03513F
[19]	Chen P, Bai Y, Wang S, et al. In situ growth of 2D perovskite capping layer for stable and efficient perovskite solar cells. Adv Funct Mater, 2018, 28, 1706923 doi: 10.1002/adfm.201706923
[20]	Dalvi V H, Rossky P J. Molecular origins of fluorocarbon hydrophobicity. Proc Natl Acad Sci, 2010, 107, 13603 doi: 10.1073/pnas.0915169107
[21]	Bi D, Gao P, Scopelliti R, et al. High-performance perovskite solar cells with enhanced environmental stability based on amphiphile-modified CH₃NH₃PbI₃. Adv Mater, 2016, 28, 2910 doi: 10.1002/adma.201505255
[22]	Slavney A H, Smaha R W, Smith I C, et al. Chemical approaches to addressing the instability and toxicity of lead-halide perovskite absorbers. Inorg Chem, 2017, 5646 doi: 10.1021/acs.inorgchem.6b01336
[23]	Zhou Q, Liang L, Hu J, et al. High-performance perovskite solar cells with enhanced environmental stability based on a (p-FC₆H₄C₂H₄NH₃)₂[PbI₄] capping layer. Adv Energy Mater, 2019, 9, 1802595 doi: 10.1002/aenm.201802595
[24]	Zhang F, Kim D H, Lu H, et al. Enhanced charge transport in 2D perovskites via fluorination of organic cation. J Am Chem Soc, 2019, 141, 5972 doi: 10.1021/jacs.9b00972
[25]	Hu J, Oswald I W H, Stuard S J, et al. Synthetic control over orientational degeneracy of spacer cations enhances solar cell efficiency in two-dimensional perovskites. Nat Commun, 2019, 10, 1276 doi: 10.1038/s41467-019-08980-x
[26]	Zhou Q, Xiong Q, Zhang Z, et al. Fluoroaromatic cation-assisted planar junction perovskite solar cells with improved V_OC and stability: the role of fluorination position. Sol RRL, 2020, 4, 2000107 doi: 10.1002/solr.202000107
[27]	Zhou Q, Gao Y, Cai C, et al. Dually-passivated perovskite solar cells with reduced voltage loss and increased super oxide resistance. Angew Chem Int Ed, 2021, 60, 8303 doi: 10.1002/anie.202017148
[28]	Liu Y, Akin S, Pan L, et al. Ultrahydrophobic 3D/2D fluoroarene bilayer-based water-resistant perovskite solar cells with efficiencies exceeding 22%. Sci Adv, 2019, 5, eaaw2543 doi: 10.1126/sciadv.aaw2543
[29]	Paek S, Roldán-Carmona C, Cho K T, et al. Molecular design and operational stability: toward stable 3D/2D perovskite interlayers. Adv Sci, 2020, 7, 2001014 doi: 10.1002/advs.202001014
[30]	Qiu Y, Liang J, Zhang Z, et al. Tuning the interfacial dipole moment of spacer cations for charge extraction in efficient and ultrastable perovskite solar cells. J Phys Chem C, 2021, 125, 1256 doi: 10.1021/acs.jpcc.0c09606
[31]	Wang L, Zhou Q, Zhang Z, et al. A guide to use fluorinated aromatic bulky cations for stable and high-performance 2D/3D perovskite solar cells: the more fluorination the better. J Energy Chem, 2022, 64, 179 doi: 10.1016/j.jechem.2021.04.063
[32]	Zhu H, Ren Y, Pan L, et al. Synergistic effect of fluorinated passivator and hole transport dopant enables stable perovskite solar cells with an efficiency near 24%. J Am Chem Soc, 2021, 143, 3231 doi: 10.1021/jacs.0c12802
[33]	Wang X, Rakstys K, Jack K, Jet al. Engineering fluorinated-cation containing inverted perovskite solar cells with an efficiency of > 21% and improved stability towards humidity. Nat Commun, 2021, 12, 52 doi: 10.1038/s41467-020-20272-3
[34]	Shi P P, Lu S Q, Song X J, et al. Two-dimensional organic-inorganic perovskite ferroelectric semiconductors with fluorinated aromatic spacers. J Am Chem Soc, 2019, 141, 18334 doi: 10.1021/jacs.9b10048
[35]	Jiang Y, Cui M, Li S, et al. Reducing the impact of Auger recombination in quasi-2D perovskite light-emitting diodes. Nat Commun, 2021, 12, 336 doi: 10.1038/s41467-020-20555-9