Performance Optimization of Perovskite Solar Cells Based on the Novel Hole-Transport Layer V2O5

doi:10.16553/j.cnki.issn1000-985x.2025.0129

Abstract

Abstract: V₂O₅ has outstanding stability， superior optical and electrical properties， and cost-efficient. This material can significantly enhance the photoelectrical performance of solar cells and represents an innovative type of hole-transport layer material. A perovskite solar cell featuring the architecture of FTO/ZnO-NR/ CH₃NH₃Pb（I_1-_x Cl _x ）₃/V₂O₅/C was meticulously designed utilizing the SCAPS-1D simulation software. Through systematic optimization and adjustment of the thickness and band gap of the CH₃NH₃Pb（I_1-_x Cl _x ）₃ material， it was determined that the maximum photoelectrical conversion efficiency （PCE） of 26.95% was achieved when the thickness and band gap were 0.8 μm and 1.5 eV， respectively. Concurrently， the influences of the ZnO-NR doping concentration and the interfacial defects at the CH₃NH₃Pb（I_1-_x Cl _x ）₃/V₂O₅ on device performance were also investigated.

Key words: perovskite solar cell; V₂O₅; SCAPS-1D simulation software; ZnO-NR doping; photoelectric conversion efficiency

CLC Number:

TM914.4

WANG Chuankun, DING Xiya, LIU Bangzhen, HAO Yanling. Performance Optimization of Perovskite Solar Cells Based on the Novel Hole-Transport Layer V₂O₅[J]. Journal of Synthetic Crystals, 2026, 55(1): 111-119.

Figures/Tables 10

References 25

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Parameter	V₂O₅^［18］	CH₃NH₃Pb（I_1-_x Cl _x ）₃^［6，19］	ZnO-NR^［20］	FTO^［20］	Spiro-OMeTAD^［21］
d/μm	0.3	0.5	0.2	0.3	0.3
E_g/eV	2.2	1.5	3.47	3.2	2.91
χ/eV	3.4	3.93	4.3	4.4	2.2
ε_r	8.0	6.5	9	9	3
N_c/cm^-3	9.2×10¹²	2.2×10¹⁷	2.0×10¹⁸	2.2×10¹⁸	2.8×10¹⁹
N_v/cm^-3	5×10²⁰	1.9×10¹⁹	1.8×10¹⁹	1.9×10¹⁹	1.0×10¹⁹
µ_e/（cm²·V^-1·s^-1）	1×10²	1×10⁷	1×10⁷	1×10⁷	1×10⁷
µ_n/（cm²·V^-1·s^-1）	2×10^-4	2×10^-1	2	20	1.2×10^-4
µ_p/（cm²·V^-1·s^-1）	2×10^-4	2×10^-1	1	80	1.2×10^-4
N_D/cm^-3	0	0	1×10¹⁹	1.0×10¹⁸	0
N_A/cm^-3	1×10²²	1.0×10¹⁰	0	0	2.2×10¹⁸
N_t/cm^-3	1×10¹⁵	1×10¹⁵	1×10¹⁵	1×10¹⁵	1.0×10¹⁵

Parameter	V₂O₅^［18］	CH₃NH₃Pb（I_1-_x Cl _x ）₃^［6，19］	ZnO-NR^［20］	FTO^［20］	Spiro-OMeTAD^［21］
d/μm	0.3	0.5	0.2	0.3	0.3
E_g/eV	2.2	1.5	3.47	3.2	2.91
χ/eV	3.4	3.93	4.3	4.4	2.2
ε_r	8.0	6.5	9	9	3
N_c/cm^-3	9.2×10¹²	2.2×10¹⁷	2.0×10¹⁸	2.2×10¹⁸	2.8×10¹⁹
N_v/cm^-3	5×10²⁰	1.9×10¹⁹	1.8×10¹⁹	1.9×10¹⁹	1.0×10¹⁹
µ_e/（cm²·V^-1·s^-1）	1×10²	1×10⁷	1×10⁷	1×10⁷	1×10⁷
µ_n/（cm²·V^-1·s^-1）	2×10^-4	2×10^-1	2	20	1.2×10^-4
µ_p/（cm²·V^-1·s^-1）	2×10^-4	2×10^-1	1	80	1.2×10^-4
N_D/cm^-3	0	0	1×10¹⁹	1.0×10¹⁸	0
N_A/cm^-3	1×10²²	1.0×10¹⁰	0	0	2.2×10¹⁸
N_t/cm^-3	1×10¹⁵	1×10¹⁵	1×10¹⁵	1×10¹⁵	1.0×10¹⁵

Parameter	V₂O₅/CH₃NH₃Pb（I_1-_x Cl _x ）₃	H₃NH₃Pb（I_1-_x Cl _x ）₃/ZnO-NR	ZnO-NR/FTO
Type of defect	Neutral	Neutral	Neutral
Cap. cross section （CCS） electrons/cm²	1×10^-19	1×10^-19	1×10^-19
CCS holes/cm²	1×10^-19	1×10^-19	1×10^-19
Distributions of energy	Single	Single	Single
Reference for defect energy level E_t	Above the highest E_v	Above the highest E_v	Above the highest E_v
Total density/cm^-2	1×10⁸	1×10⁸	1×10¹⁰

Parameter	V₂O₅/CH₃NH₃Pb（I_1-_x Cl _x ）₃	H₃NH₃Pb（I_1-_x Cl _x ）₃/ZnO-NR	ZnO-NR/FTO
Type of defect	Neutral	Neutral	Neutral
Cap. cross section （CCS） electrons/cm²	1×10^-19	1×10^-19	1×10^-19
CCS holes/cm²	1×10^-19	1×10^-19	1×10^-19
Distributions of energy	Single	Single	Single
Reference for defect energy level E_t	Above the highest E_v	Above the highest E_v	Above the highest E_v
Total density/cm^-2	1×10⁸	1×10⁸	1×10¹⁰

Performance Optimization of Perovskite Solar Cells Based on the Novel Hole-Transport Layer V₂O₅

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