Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance

Long Hu; Xinwei Guan; Tao Wan; Chun-Ho Lin; Shanqin Liu; Renbo Zhu; Weijian Chen; Yin Yao; Chien-Yu Huang; Lin Yuan; Shamim Shahrokhi; Dewei Chu; Claudio Cazorla; Junfeng Chen; Jack Yang; Jiabao Yi; Shujuan Huang; Tom Wu

doi:10.1021/acsenergylett.2c02040

Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance

Long Hu, Xinwei Guan, Tao Wan, Chun-Ho Lin, Shanqin Liu, Renbo Zhu, Weijian Chen, Yin Yao, Chien-Yu Huang, Lin Yuan, Shamim Shahrokhi, Dewei Chu^*, Claudio Cazorla^*, Junfeng Chen, Jack Yang^*, Jiabao Yi, Shujuan Huang^*, Tom Wu^*

^*Corresponding author for this work

School of Engineering

Research output: Contribution to journal › Article › peer-review

31 Citations (Scopus)

Abstract

Electronic doping is a promising approach to modulating the optoelectronic properties of semiconductors, but its effect on optoelectronic behaviors of halide perovskites remains controversial. Here, we comprehensively investigate the impact of Pb substitution in n-type CsPbIBr₂perovskite by utilizing monovalent Ag, divalent Zn, and trivalent Sb. Our findings reveal that the trap densities in doped CsPbIBr₂films are in the order of Ag < Zn < Sb. Compared with the pristine CsPbIBr₂, the Ag-doped perovskite features a significantly reduced phase separation; however, the Sb doping accelerates halide segregation, and Zn exerts a negligible influence. The p-doping effect from monovalent Ag can shift the Fermi level of CsPbIBr₂toward the intrinsic midgap, which helps prevent the formation of ionic defects and reduce the migration of halide ions in the perovskite lattice. Through combing the density functional theory simulation, this study discloses the correlation between valence-controlled metal doping and phase segregation, providing a guideline for judiciously doping mixed-halide perovskites for optoelectronic applications.

[Graphic presents]

Original language	English
Pages (from-to)	4150-4160
Number of pages	11
Journal	ACS Energy Letters
Volume	7
Issue number	12
DOIs	https://doi.org/10.1021/acsenergylett.2c02040
Publication status	Published - 9 Dec 2022

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10.1021/acsenergylett.2c02040

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Hu, L., Guan, X., Wan, T., Lin, C.-H., Liu, S., Zhu, R., Chen, W., Yao, Y., Huang, C.-Y., Yuan, L., Shahrokhi, S., Chu, D., Cazorla, C., Chen, J., Yang, J., Yi, J., Huang, S., & Wu, T. (2022). Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance. ACS Energy Letters, 7(12), 4150-4160. https://doi.org/10.1021/acsenergylett.2c02040

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title = "Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance",

abstract = "Electronic doping is a promising approach to modulating the optoelectronic properties of semiconductors, but its effect on optoelectronic behaviors of halide perovskites remains controversial. Here, we comprehensively investigate the impact of Pb substitution in n-type CsPbIBr2perovskite by utilizing monovalent Ag, divalent Zn, and trivalent Sb. Our findings reveal that the trap densities in doped CsPbIBr2films are in the order of Ag < Zn < Sb. Compared with the pristine CsPbIBr2, the Ag-doped perovskite features a significantly reduced phase separation; however, the Sb doping accelerates halide segregation, and Zn exerts a negligible influence. The p-doping effect from monovalent Ag can shift the Fermi level of CsPbIBr2toward the intrinsic midgap, which helps prevent the formation of ionic defects and reduce the migration of halide ions in the perovskite lattice. Through combing the density functional theory simulation, this study discloses the correlation between valence-controlled metal doping and phase segregation, providing a guideline for judiciously doping mixed-halide perovskites for optoelectronic applications.[Graphic presents] ",

author = "Long Hu and Xinwei Guan and Tao Wan and Chun-Ho Lin and Shanqin Liu and Renbo Zhu and Weijian Chen and Yin Yao and Chien-Yu Huang and Lin Yuan and Shamim Shahrokhi and Dewei Chu and Claudio Cazorla and Junfeng Chen and Jack Yang and Jiabao Yi and Shujuan Huang and Tom Wu",

year = "2022",

month = dec,

day = "9",

doi = "10.1021/acsenergylett.2c02040",

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Hu, L, Guan, X, Wan, T, Lin, C-H, Liu, S, Zhu, R, Chen, W, Yao, Y, Huang, C-Y, Yuan, L, Shahrokhi, S, Chu, D, Cazorla, C, Chen, J, Yang, J, Yi, J, Huang, S & Wu, T 2022, 'Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance', ACS Energy Letters, vol. 7, no. 12, pp. 4150-4160. https://doi.org/10.1021/acsenergylett.2c02040

TY - JOUR

T1 - Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance

AU - Hu, Long

AU - Guan, Xinwei

AU - Wan, Tao

AU - Lin, Chun-Ho

AU - Liu, Shanqin

AU - Zhu, Renbo

AU - Chen, Weijian

AU - Yao, Yin

AU - Huang, Chien-Yu

AU - Yuan, Lin

AU - Shahrokhi, Shamim

AU - Chu, Dewei

AU - Cazorla, Claudio

AU - Chen, Junfeng

AU - Yang, Jack

AU - Yi, Jiabao

AU - Huang, Shujuan

AU - Wu, Tom

PY - 2022/12/9

Y1 - 2022/12/9

N2 - Electronic doping is a promising approach to modulating the optoelectronic properties of semiconductors, but its effect on optoelectronic behaviors of halide perovskites remains controversial. Here, we comprehensively investigate the impact of Pb substitution in n-type CsPbIBr2perovskite by utilizing monovalent Ag, divalent Zn, and trivalent Sb. Our findings reveal that the trap densities in doped CsPbIBr2films are in the order of Ag < Zn < Sb. Compared with the pristine CsPbIBr2, the Ag-doped perovskite features a significantly reduced phase separation; however, the Sb doping accelerates halide segregation, and Zn exerts a negligible influence. The p-doping effect from monovalent Ag can shift the Fermi level of CsPbIBr2toward the intrinsic midgap, which helps prevent the formation of ionic defects and reduce the migration of halide ions in the perovskite lattice. Through combing the density functional theory simulation, this study discloses the correlation between valence-controlled metal doping and phase segregation, providing a guideline for judiciously doping mixed-halide perovskites for optoelectronic applications.[Graphic presents]

AB - Electronic doping is a promising approach to modulating the optoelectronic properties of semiconductors, but its effect on optoelectronic behaviors of halide perovskites remains controversial. Here, we comprehensively investigate the impact of Pb substitution in n-type CsPbIBr2perovskite by utilizing monovalent Ag, divalent Zn, and trivalent Sb. Our findings reveal that the trap densities in doped CsPbIBr2films are in the order of Ag < Zn < Sb. Compared with the pristine CsPbIBr2, the Ag-doped perovskite features a significantly reduced phase separation; however, the Sb doping accelerates halide segregation, and Zn exerts a negligible influence. The p-doping effect from monovalent Ag can shift the Fermi level of CsPbIBr2toward the intrinsic midgap, which helps prevent the formation of ionic defects and reduce the migration of halide ions in the perovskite lattice. Through combing the density functional theory simulation, this study discloses the correlation between valence-controlled metal doping and phase segregation, providing a guideline for judiciously doping mixed-halide perovskites for optoelectronic applications.[Graphic presents]

UR - https://www.scopus.com/pages/publications/85141452632

UR - http://purl.org/au-research/grants/arc/DP190103316

U2 - 10.1021/acsenergylett.2c02040

DO - 10.1021/acsenergylett.2c02040

M3 - Article

AN - SCOPUS:85141452632

SN - 2380-8195

VL - 7

SP - 4150

EP - 4160

JO - ACS Energy Letters

JF - ACS Energy Letters

IS - 12

ER -

Valence-regulated metal doping of mixed-halide perovskites to modulate phase segregation and solar cell performance

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