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GaN基半导体在光电子、电子器件已具有重要应用, 如何结合其良好的电学特性进行其他应用方面的理论或实验探索, 是当前新的研究课题. 本文利用 SCAPS-1D软件从理论上计算了GaN在FTO/GaN/ (FAPbI3)0.85(MAPbBr3)0.15/HTL电池结构中电子传输的理论机制. 结果表明, 引入GaN后, 电池的开路电压, 转换效率明显提高. 通过进一步分析准费米能级分裂、界面电场、界面复合率、耗尽层厚度等因素的变化规律, 分析了GaN的厚度和掺杂浓度对电池开路电压等器件参数的影响, 并从GaN作为电子传输层的物理机制方面进行了讨论.GaN-based semiconductor has been used in optoelectronics and electronic devices. It is a new research topic at present that how its good electrical properties are integrated together to explore other applications in theory or experiment. In this work, SCAPS-1D software is used to calculate the mechanism of GaN electron transport in an FTO/GaN/(FAPbI3)0.85(MAPbBr3)0.15/HTL perovskite solar cell (PSC) structure. The results show that when GaN is used in PSC, the Voc increases from 0.78 V to 1.21 V, PCE increases from 15.87% to 24.18%, and that the small conduction band cliff formed between GaN and the active layer can improve the efficiency of the cell. Quasi-Fermi level splitting, interfacial electric field, interfacial recombination rate and depletion zone thickness at different doping concentrations s are analyzed. The influences of GaN thickness and doping concentration on open-circuit voltage and other device parameters are investigated. The physical mechanism of GaN as an electron transport layer is discussed. With the increase of the thickness, the Jsc of this solar cell decreases gradually, but the change range is not large (24.13—23.83 mA/cm2). The Voc decreases from 1.30 V to 1.21 V when the thickness of GaN exceeds 100nm, and then keeps stable. The power conversion efficiency changing regularity appears in the form of “pits” —first decreases, then increases, and finally keeps stable, with the highest efficiency being 24.76% and the corresponding GaN thickness being 245 nm. The FF shows a trend, which is first decreasing, then increasing, and finally leveling off. In the case of the doping concentration and thickness change at the same time, during the increase of doping concentration, the Jsc decreases gradually with the increase of thickness, but the overall change range is small, and the open-circuit voltage, filling factor and conversion efficiency all show “pits” changes. When the thickness of GaN is 200 nm, with the concentration of GaN doping increasing, the quasi Fermi level splitting increases, and the strength of the built-in electric field between the active layer and the GaN layer increases, thus providing a greater driving force for carrier separation, resulting in a larger potential difference Δμ, and thus a larger Voc. With the increase of doping concentration, the recombination rate of the active layer/GaN layer interface and the recombination rate inside the active layer increase, which leads the value of Jsc to decrease. It is found that the position of the “concave point” of Voc under the change of GaN thickness is determined by varying the GaN doping concentration, the width of GaN depletion region between GaN/FTO, and the width of GaN depletion region between GaN/active layer determine the width of the whole “pit”. In summary, the cell parameters can be improved by simultaneously changing the thickness and doping concentration of GaN.
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Keywords:
- GaN /
- perovskite solar cell /
- open-circuit voltage
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图 1 (a)钙钛矿电池的结构; (b) GaN层在电池中的理论能带匹配
Fig. 1. (a) Structure of perovskite cells; (b) theoretical band matching of GaN layer in batteries.
图 2 (a)光照下有GaN层与无GaN层的电池J-V曲线; (b) 光照后电池处于热平衡状态时的能带图
Fig. 2. J-V curve of solar cells with and without GaN layer under lighting; (b) the band of GaN as ETL in perovskite solar cell after illumination.
图 3 (a)—(d) GaN厚度变化对电池各参数的影响
Fig. 3. (a)–(d) Effect of GaN thickness variation on battery parameters.
图 4 活性层与不同厚度的GaN层接触时的结果 (a)能带图; (b)导带与准电子费米能级分布图; (c)界面电场图
Fig. 4. Results of the active layer is in contact with GaN layer of different thickness: (a) Energy band map; (b) band map of conduction band and quasi-Fermi level of electrons; (c) interfacial electric field map diagram.
图 5 (a) Jmpp和(b) Vmpp随GaN厚度的变化
Fig. 5. Variation of (a) Jmpp and (b)Vmpp with GaN thickness
图 6 (a)—(d) GaN掺杂浓度和厚度对电池Jsc, Voc, FF, PCE的模拟结果
Fig. 6. (a)–(d) Simulation results of Jsc, Voc, FF, PCE under Nd and thickness of GaN.
图 7 GaN不同掺杂浓度下, 光照前电池平衡能级图(a)—(e)和光照后电池能级图(f)—(j)
Fig. 7. Equilibrium energy level diagram of solar cell before illumination (a)–(e) and energy level diagram of the solar cell after illumination (f)–(j) under different doping concentrations.
图 8 GaN不同掺杂浓度下, 活性层/GaN界面的电场分布(a)和电池内部复合率(b)
Fig. 8. Electric field distribution of active layer/GaN interface (a) and recombination rate inside the cell (b) under different doping concentrations.
图 10 (a)不同GaN厚度光照前的热平衡能带图; (b)光照后能带图; (c)光照后的导带图; (d)光照后的价带图
Fig. 10. (a) Thermal balance band of different GaN’s thicknesses before illumination; (b) post-illumination band map; (c) band chart after illumination; (d) valence band map after illumination.
表 1 模拟中使用的参数
Table 1. Parameters used in the simulation.
参数 GaN 活性层 HTL 厚度/μm 0.10 0.55 0.10 带隙/eV 3.40[24] 1.55[11] 3.11 电子亲和势/eV 4.10[25] 4.05[26] 2.25 介电常数 (relative) 8.90 6.50 3.00 导带有效态密度/(1018 cm–3) 2.30 2.20 2.20[27] 价带有效态密度/(1019 cm–3) 4.60 1.80 1.80[27] 电子热速度/(107 cm·s–1) 1.00 1.00 1.00 空穴热速度/(107 cm·s–1) 1.00 1.00 1.00 电子迁移率/(102 cm·V–1·s–1) 10.0 5.00 1.00 空穴迁移率/(cm·V–1·s–1) 100 60 50 浅均匀掺杂施主浓度 ND/(1016 cm–3) 1.00 — — 浅均匀掺杂受主浓度 NA/(1015 cm–3) — 1.00 1.00×103[27] 缺陷浓度/(1015 cm–3) 1.00 1.00×10–2 1.00 
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表 2 GaN与活性层、活性层与空穴传输层之间的参数
Table 2. Parameters of GaN/active and active/HTL layer interfaces.
参数 GaN/活性层界面 活性层/HTL界面 缺陷类型 中性 中性 电子捕获截面/(10–19 cm2) 1.0 1.0 空穴捕获截面/(10–19 cm2) 1.0 1.0 能量分布 单一 单一 缺陷能级Et的参考 高于最高价带能级 高于最高价带能级 相对于参考能级的能量/eV 0.6 0.6 缺陷密度/(1010 cm–3) 1.0×105 1.0
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表 3 有GaN与无GaN时电池模拟参数对比
Table 3. Comparison of solar cell simulation parameters with and without GaN.
Samples Jsc/ (mA·cm–2) Voc/V FF/% PCE/% Vmpp /V Jmpp / (mA·cm–2) With GaN 24.12 1.21 82.67 24.18 1.05 22.99 Free GaN 24.03 0.78 84.44 15.87 0.69 22.93
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表 4 GaN/FTO耗尽区宽度与Voc变化宽度对比
Table 4. Comparison between depletion width of GaN/FTO interface and Voc variation width.
Parameters Nd/cm–3 1015 1016 1017 1018 1019 GaN/FTO异质结中GaN耗尽区厚度/nm — — 84.00 29.46 9.18 Voc随厚度变化的凹点宽度/nm — — 84.00 29.00 9.00 活性层/GaN异质结中GaN耗尽区厚度/nm — — 40.17 13.65 3.80 Voc随厚度变化的凹点位置/nm — — 40.00 13.00 3.00
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[1] Koblmuller G, Wu F, Mates T, Speck J S, Fernandez-Garrido S, Calleja E 2007 Appl. Phys. Lett. 91 221905
Google Scholar
[2] Yildirim M A, Teker K 2021 Nano 16 2150021
Google Scholar
[3] Leijtens T, Eperon G E, Pathak S, Abate A, Lee M M, Snaith H J 2013 Nat. Commun. 4 2885
Google Scholar
[4] Luo Y Q, Khoram P, Brittman S, Zhu Z Y, Lai B, Ong S P, Garnett E C, Fenning D P 2017 Adv. Mater. 29 1703451
Google Scholar
[5] Bischak C G, Hetherington C L, Wu H, Aloni S, Ogletree D F, Limmer D T, Ginsberg N S 2017 Nano Lett. 17 1028
Google Scholar
[6] Dequilettes D W, Zhang W, Burlakov V M, et al. 2016 Nat. Commun. 7 11683
Google Scholar
[7] Raoui Y, Ez-Zahraouy H, Tahiri N, El Bounagui O, Ahmad S, Kazim S 2019 Sol. Energy 193 948
Google Scholar
[8] Mandadapu U, Vedanayakam S V, Thyagarajan K, Reddy M R, Babu B J 2017 Int. J. Energy Res. 7 1603
[9] Okamoto Y, Suzuki Y 2016 J. Phys. Chem. C 120 13995
Google Scholar
[10] Qiu P, Wei H Y, An Y L, et al. 2020 Ceram. Int. 46 5765
Google Scholar
[11] Wei H Y, Wu J H, Qiu P, et al. 2019 J. Mater. Chem. A 7 25347
Google Scholar
[12] Lee K J, Min J W, Turedi B, et al. 2020 ACS Energy Lett. 5 3295
Google Scholar
[13] Lin S, Zhang B P, Lu T Y, Zheng J C, Pan H Q, Chen H T, Lin C J, Li X R, Zhou J R 2021 Acs Omega 6 26689
Google Scholar
[14] Chen P, Bai Y, Wang L Z 2021 Small Struct. 2 2000050
Google Scholar
[15] Mahesh S, Ball J M, Oliver R D J, Mcmeekin D P, Nayak P K, Johnston M B, Snaith H J 2020 Energy Environ. Sci. 13 258
Google Scholar
[16] Wang P Y, Li R J, Chen B B, Hou F H, Zhang J, Zhao Y, Zhang X D 2020 Adv. Mater. 32 1905766
Google Scholar
[17] Zhou X Y, Hu M M, Liu C, Zhang L Z, Zhong X W, Li X N, Tian Y Q, Cheng C, Xu B M A 2019 Nano Energy 63 103866
Google Scholar
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Google Scholar
[19] Stolterfoht M, Caprioglio P, Wolff C M, et al. 2019 Energy Environ. Sci. 12 2778
Google Scholar
[20] Burgelman M, Nollet P, Degrave S 2000 Thin Solid Films 361 527
Google Scholar
[21] Bal S S, Basak A, Singh U P 2022 Opt. Mater. 127 112282
Google Scholar
[22] Kumar P, Shankar G, Pradhan B 2022 Mater. Today Proc. 66 3392
Google Scholar
[23] Jafarzadeh F, Aghili H, Nikbakht H, Javadpour S 2022 Sol. Energy 236 195
Google Scholar
[24] Muth J F, Lee J E, Shmagin I K, Kolbas R M, Casey H C, Keller B P, Mishra U K, Denbaars 1997 Appl. Phys. Lett. 71 2572
Google Scholar
[25] Levinshtein M E, Rumyantsev S L, Shur M S 2001 Properties of Advanced Semiconductor Materials: GaN, AIN, InN, BN, SiC, SiGe (John Wiley & Sons) pp1–28
[26] Zhang D Y, Xu P, Wu T, Ou Y M, Yang X T, Sun A X, Cui B, Sun H W, Hua Y 2019 J. Mater. Chem. A 7 5221
Google Scholar
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Google Scholar
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Google Scholar
[29] 甘永进, 蒋曲博, 覃斌毅, 毕雪光, 李清流 2021 物理学报 70 038801
Google Scholar
Gan Y J, Jiang Q B, Qin B Y, Bi X G, Li Q L 2021 Acta. Phys. Sin. 70 038801
Google Scholar
[30] He Y Z, Xu L Y, Yang C, Guo X W, Li S R 2021 Nanomaterials 11 2321
Google Scholar
[31] Gan Y J, Bi X G, Liu Y C, Qin B Y, Li Q L, Jiang Q B, Mo P 2020 Energies 13 5907
Google Scholar
[32] Tan K, Lin P, Wang G, Liu Y, Xu Z C, Lin Y X 2016 Solid State Electron. 126 75
Google Scholar
[33] Turcu M, Rau U 2003 J. Phys. Chem. Solids 64 1591
Google Scholar
[34] Tanaka K, Minemoto T, Takakura H 2009 Sol. Energy 83 477
Google Scholar
[35] Leijtens T, Eperon G E, Barker A J, et al. 2016 Energy Environ. Sci. 9 3472
Google Scholar
[36] Stolterfoht M, Wolff C M, Marquez J A, et al. 2018 Nat. Energy 3 847
Google Scholar
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Google Scholar
[38] Ran C X, Xu J T, Gao W Y, Huang C M, Dou S X 2018 Chem. Soc. Rev. 47 4581
Google Scholar
[39] Duha A U, Borunda M F 2022 Opt. Mater. 123 111891
Google Scholar
[40] 肖友鹏, 王涛, 魏秀琴, 周浪 2017 物理学报 66 108801
Google Scholar
Xiao Y P, Wang T, Wei X Q, Zhou L 2017 Acta. Phys. Sin. 66 108801
Google Scholar
[41] Trukhanov V A, Bruevich V V, Paraschuk D Y 2011 Phys. Rev. B 84 205318
Google Scholar
[42] Shao Y C, Yuan Y B, Huang J S 2016 Nat. Energy 1 15001
Google Scholar
[43] Edri E, Kirmayer S, Henning A, Mukhopadhyay S, Gartsman K, Rosenwaks Y, Hodes G, Cahen D 2014 Nano Lett. 14 1000
Google Scholar
[44] Deng Y H, Ni Z Y, Palmstrom A F, Zhao J J, Xu S, Van Brackle C H, Xiao X, Zhu K, Huang J S 2020 Joule 4 1949
Google Scholar
[45] Xu G Y, Xue R M, Stuard S J, Ade H, Zhang C J, Yao J L, Li Y W, Li Y F 2021 Adv. Mater. 33 2006753
Google Scholar
[46] Wang D, Wu C C, Luo W, Guo X, Qu B, Xiao L X, Chen Z J 2018 ACS Appl. Energy Mater. 1 2215
Google Scholar
[47] Minemoto T, Matsui T, Takakura H, et al. 2001 Sol. Energy Mater Sol. Cells 67 83
Google Scholar
[48] Nollet P, Kontges M, Burgelman M, Degrave D S, Reineke-Koch R 2003 Thin Solid Films 431 414
Google Scholar
[49] Belarbi M, Zeggai O, Khettaf S, Louhibi-Fasla S 2022 Semicond. Sci. Tech. 37 095016
Google Scholar
[50] Ghosh S, Porwal S, Singh T 2022 Optik 256 168749
Google Scholar
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