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Cs3Bi2I9薄膜的制备及其太阳能电池的数值模拟

任雨轩 柏晨 丁伟 方栋 密保秀 高志强

任雨轩, 柏晨, 丁伟, 等. Cs3Bi2I9薄膜的制备及其太阳能电池的数值模拟[J]. 复合材料学报, 2025, 42(待排刊): 1-13.
引用本文: 任雨轩, 柏晨, 丁伟, 等. Cs3Bi2I9薄膜的制备及其太阳能电池的数值模拟[J]. 复合材料学报, 2025, 42(待排刊): 1-13.
REN Yuxuan, BAI Chen, DING Wei, et al. Thin-films preparation of Cs3Bi2I9 and numerical simulation of solar cells[J]. Acta Materiae Compositae Sinica.
Citation: REN Yuxuan, BAI Chen, DING Wei, et al. Thin-films preparation of Cs3Bi2I9 and numerical simulation of solar cells[J]. Acta Materiae Compositae Sinica.

Cs3Bi2I9薄膜的制备及其太阳能电池的数值模拟

基金项目: 南京邮电大学有机电子与信息显示国家重点实验室项目(2009DS690095)
详细信息
    通讯作者:

    密保秀,博士,教授,硕士生/博士生导师,研究方向为有机太阳能电池功能材料及器件 E-mail: iambxmi@njupt.edu.cn

  • 中图分类号: TM914.4+2; TB333

Thin-films preparation of Cs3Bi2I9 and numerical simulation of solar cells

Funds: State Key Laboratory of Organic Electronics and Information Displays, Nanjing University of Posts & Telecommunications (2009DS690095).
  • 摘要: 近年来,人们致力于探索新型无铅无机钙钛矿材料,旨在追赶铅基钙钛矿太阳能电池的性能。在本工作中,首次使用分层交替蒸镀BiI3和CsI薄膜的方式成功制备了质量较好的无铅无机Cs3Bi2I9薄膜,并通过真空蒸镀将KI掺杂到Cs3Bi2I9薄膜中,获得的薄膜带隙减小、激子寿命增加。将上述两种薄膜作为活性层,制备了结构为ITO/CuPc/活性层/C60/Al的太阳能电池。为了提高这类太阳能电池的性能,使用SCAPS-1D太阳能电池模拟软件对上述结构的器件进行数值模拟,以获得最佳器件的参数。模拟器件各功能层的厚度经过优化且增加活性层供体掺杂浓度后,最大功率转换效率只有8.62%。然后,选取其他合适的空穴传输材料以及电子传输材料以优化器件结构,模拟出的最佳器件表现出25.66%的功率转换效率。这项工作为后续实验制备Cs3Bi2I9薄膜太阳能电池提供了理论指导。

     

  • 图  1  CBI和CBIK薄膜以及原料BiI3、CsI和KI粉末的XRD图谱

    Figure  1.  XRD patterns of CBI and CBIK films, raw materials BiI3, CsI, and KI powders

    图  2  (a) CBI和 (b) CBIK薄膜的俯视SEM图像

    Figure  2.  Top view SEM images of (a) CBI and (b) CBIK film

    图  3  (a) CBI和CBIK薄膜的紫外-可见光吸收光谱;(b) CBI薄膜和CBIK薄膜的光学吸收带隙图;(c) CBI和CBIK薄膜的PL光谱

    Figure  3.  (a) UV-vis absorption spectra of CBI and CBIK film; (b) Optical absorption bandgap diagram of CBI and CBIK film; (c) PL spectra of CBI and CBIK film

    图  4  器件结构为ITO/CuPc (50 nm)/CBIK(300 nm)/C60 (150 nm)/Al薄膜太阳能电池的

    (a) J-V曲线、(b) 器件照片以及 (c) 显微镜下器件表面

    Figure  4.  (a) J-V curve, (b) Device photograph, and (c) device surface under the microscope of the thin-film solar cell with structure of ITO/CuPc (50 nm)/CBIK(300 nm)/C60 (150 nm)/Al

    图  5  (a) 模拟器件的结构示意图;(b) 模拟器件的能级图

    Figure  5.  (a) Device structure and (b) energy level diagram of the simulated device

    图  6  活性层Cs3Bi2I9的厚度对(a) J-V曲线、(b) VOCJSCFFPCE以及 (c) 量子效率的影响

    Figure  6.  Effect of active-layer thickness (Cs3Bi2I9) on (a) J-V curves, (b) VOC, JSC, FF and PCE, and (c) quantum efficiency

    图  7  空穴传输层CuPc的厚度对(a) J-V曲线、(b) VOCJSCFFPCE以及 (c) 量子效率的影响

    Figure  7.  Effect of hole-transport-layer thickness (CuPc) on (a) J-V curves, (b) VOC, JSC, FF and PCE, and (c) quantum efficiency

    图  8  电子传输层C60的厚度对(a) J-V曲线、(b) VOCJSCFFPCE以及 (c) 量子效率的影响

    Figure  8.  Effect of electron-transport-layer thickness (C60) on (a) J-V curves, (b) VOC, JSC, FF and PCE, and (c) quantum efficiency

    图  9  (a) Cs3Bi2I9层、(b) CuPc/Cs3Bi2I9界面、(c) Cs3Bi2I9/C60界面的缺陷密度对器件性能的影响

    Figure  9.  Effect of defect density at (a) Cs3Bi2I9 layer, (b) CuPc/ Cs3Bi2I9 interface, and (c) Cs3Bi2I9/C60 interface, to device performance.

    图  10  Cs3Bi2I9层供体掺杂对 (a) VOCJSCFFPCE、(b) 生成率、(c) 复合率、(d) 电子密度、(e) 空穴密度以及(f) 总载流子密度的影响

    Figure  10.  Effect of donor-doping in Cs3Bi2I9 layer on (a) VOC, JSC, FF, and PCE, (b) generation rate, (c) recombination rate, (d) electron density, (e) hole density, and (f) total carrier density

    图  11  不同空穴传输层与电子传输层对 (a) J-V曲线、(b) VOCJSCFFPCE、(c) 量子效率、(d) 复合率、(e) 生成率以及(f) 总载流子密度的影响

    Figure  11.  Effect of different hole transport layer and electron transport layer on (a) J-V curves, (b) VOC, JSC, FF, and PCE, (c) quantum efficiency, (d) recombination rate, (e) generation rate, and (f) total carrier density

    表  1  空穴传输层、钙钛矿(活性层)和电子传输层的参数

    Table  1.   Parameters of hole transport layer, perovskite (active layer) and electron transport layer

    ParametersCuPcCs3Bi2I9C60
    Thickness/nm50500150
    Band gap, Eg/eV1.7*2.2*1.9*
    Electron affinity, X/eV3.503.554.50
    Dielectric permittivity (relative), εr10.3819.6805.000
    CB effective density of states, NC/cm−32.50 × 10204.98 × 10192.20 × 1018
    VB effective density of states, NV/cm−32.50 × 10202.11 × 10191.80 × 1019
    Electron thermal velocity/(cm·s−1)1 × 1071 × 1071 × 107
    Hole thermal velocity/(cm·s−1)1 × 1071 × 1071 × 107
    Electron mobility, μn/(cm2·V−1·s−1)0.3554.3000.010
    Hole mobility, μh/(cm2·V−1·s−1)1.6801.7000.010
    Shallow uniform acceptor density, NA/cm−31 × 10151 × 1090
    Shallow uniform donor density, ND/cm−301 × 1092 × 1018
    Defect density, Nt/cm−31 × 10131 × 10151 × 1014
    Notes: * Experimental data from this work; CuPc: Copper(II) phthalocyanine.
    下载: 导出CSV

    表  2  空穴传输层及电子传输层的参数

    Table  2.   Parameters for hole transport and electron transport layers

    ParametersPEDOT:PSSCuICuSCNZnOSnO2PCBM
    Thickness/nm50100505010050
    Band gap, Eg/eV1.63.13.63.53.62.0
    Electron affinity, X/eV3.42.11.74.04.03.9
    Dielectric permittivity (relative), εr3.06.510909.03.9
    CB effective density of states, NC/cm−32.2 × 10182.8 × 10192.2 × 10193.7 × 10182.2 × 10182.5 × 1021
    VB effective density of states, NV/cm−31.8 × 10191.0 × 10191.8 × 10181.8 × 10191.8 × 10192.5 × 1021
    Electron thermal velocity/(cm·s−1)1 × 1071 × 1071 × 1071 × 1071 × 1071 × 107
    Hole thermal velocity/(cm·s−1)1 × 1071 × 1071 × 1071 × 1071 × 1071 × 107
    Electron mobility, μn/(cm2·V−1·s−1)0.0451001001001000.200
    Hole mobility, μh/(cm2·V−1·s−1)0.04543.9002525250.200
    Shallow uniform acceptor density,
    NA/cm−3
    1 × 10181 × 10181 × 1018000
    Shallow uniform donor density, ND/cm−30001 × 10181 × 10172.9 × 1017
    Defect density, Nt/cm−31 × 10151 × 10151 × 10151 × 10151 × 10151 × 1015
    Notes: PEDOT: PSS: Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate); PCBM: Methyl [6,6]-phenyl-C61-butyrate.
    下载: 导出CSV
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  • 收稿日期:  2024-04-08
  • 修回日期:  2024-05-08
  • 录用日期:  2024-05-18
  • 网络出版日期:  2024-06-18

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