Theoretical study of photovoltaic performance for inverted halide perovskite solar cells

Ao Zhang; Chun-Xiu Zhang; Yun-Lin Chen; Chun-Mei Zhang; Tao Meng

doi:10.7498/aps.69.20200089

Journals >Acta Physica Sinica >Volume 69 >Issue 11 >Page 118801-1 > Article

Acta Physica Sinica
Vol. 69, Issue 11, 118801-1 (2020)

Theoretical study of photovoltaic performance for inverted halide perovskite solar cells

Ao Zhang¹, Chun-Xiu Zhang¹, Yun-Lin Chen^2、*, Chun-Mei Zhang¹, and Tao Meng¹

Author Affiliations

¹Department of Science, Beijing Institute of Graphic Communication, Beijing 102600, China

²Institute of Applied Micro-Nano Materials, School of Science, Beijing Jiaotong University, Beijing 100044, China

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DOI: 10.7498/aps.69.20200089 Cite this Article

Ao Zhang, Chun-Xiu Zhang, Yun-Lin Chen, Chun-Mei Zhang, Tao Meng. Theoretical study of photovoltaic performance for inverted halide perovskite solar cells[J]. Acta Physica Sinica, 2020, 69(11): 118801-1 Copy Citation Text

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Schematic diagram of working principle in (a) inverted and (b) regular planar heterojunction MAPbI3 solar cells.

Fig. 1. Schematic diagram of working principle in (a) inverted and (b) regular planar heterojunction MAPbI₃ solar cells.

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The PCE of inverted perovskite solar cells for (a) ITO/HTM/MAPbI3/PC61BM/Al, (b) ITO/HTM/MAPbI3/TiO2/Al, and (c) ITO/HTM/MAPbI3/ZnO/Al simulated with the MAPbI3 thickness. Front and back contact work function: 4.6 eV (ITO) and 4.3 eV (Al), respectively.

Fig. 2. The PCE of inverted perovskite solar cells for (a) ITO/HTM/MAPbI₃/PC₆₁BM/Al, (b) ITO/HTM/MAPbI₃/TiO₂/Al, and (c) ITO/HTM/MAPbI₃/ZnO/Al simulated with the MAPbI₃ thickness. Front and back contact work function: 4.6 eV (ITO) and 4.3 eV (Al), respectively.

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Fig. 3. Simulation for PCE and FF of inverted perovskite solar cells for (a) ITO/CuO₂/MAPbI₃/ETM/Al, (b) ITO/CuSCN/MAPbI₃/ETM/Al, and (c) ITO/NiO_x/MAPbI₃/ETM/Al solar cells as a function of ITO work function, here ETM is PC₆₁BM, TiO₂, or ZnO.

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Fig. 4. J-V characteristics of solar cell as a function of hole mobility in CuSCN and NiO_x. Front and back contact work function is 4.6 eV (ITO) and 4.3 eV (Al), respectively: (a) ITO/CuSCN/MAPbI₃/TiO₂/Al; (b) ITO/NiO_x/MAPbI₃/TiO₂/Al.

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Parameters	MAPbI₃	ZnO	TiO₂	PC₆₁BM
Dielectric constant	23.3^[22]	8.12^[25]	100^[30]	3.9^[18]
Band gap/eV	1.51^[23]	3.40^[26]	3.2^[31]	1.9^[9]
Electron affinity/eV	3.93^[23]	4.19^[27]	4.0^[31]	3.9^[9]
Thickness/nm	40-400	90	90	90
Electron and hole mobility/cm²·V^–1·s^–1	50, 50^[24]	150, 0.0001^[28]	0.006, 0.006^[30]	0.0005, 0.0001^[18]
Acceptor concentration/cm^–3	(2.14 × 10¹⁷)^[23]	0	0	0
Donor concentration/cm^–3	0	(5 × 10¹⁹)^[29]	(5 × 10¹⁹)^[30]	5 × 10¹⁹
Effective conduction band density/cm^–3	1.66 × 10¹⁹	4.49 × 10¹⁸	1.0 × 10²¹	2.5 × 10²⁰
Effective valence band density/cm^–3	5.41 × 10¹⁸	5.39 × 10¹⁸	2.0 × 10²⁰	2.5 × 10²⁰

Table 1. AMPS-1D parameters set for MAPbI₃ and ETM.

Parameters	CuSCN	NiO_x	Cu₂O
Dielectric constant	10^[32]	11.9^[36]	8.8^[40]
Band gap/eV	3.4^[33]	3.7^[37]	2.17^[41]
Electron affinity/eV	1.9^[33]	1.5^[38]	3.3^[42]
Thickness/nm	200	200	200
Electron and hole mobility/cm²·V^–1·s^–1	0.0001, 0.01—0.10^[34]	0.0001, 120^[39]	0.0001, 10^[43]
Acceptor concentration/cm^–3	(5 × 10¹⁸)^[35]	(2.66 × 10¹⁷)^[15]	(5 × 10¹⁵)^[43]
Donor concentration/cm^–3	0	0	0
Effective conduction band density/cm^–3	1.79 × 10¹⁹	2.5 × 10¹⁹	2.5 × 10¹⁹
Effective valence band density/cm^–3	2.51 × 10¹⁹	2.5 × 10¹⁹	2.5 × 10¹⁹

Table 2. AMPS-1D parameters set for HTM.

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