journal article·2022-12-09Open access

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

ACS Energy Letters· Volume 7· Issue 12

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 CsPbIBr2 perovskite by utilizing monovalent Ag, divalent Zn, and trivalent Sb. Our findings reveal that the trap densities in doped CsPbIBr2 films 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 CsPbIBr2 toward 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.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Chalcogenide Semiconductor Thin Films · Solid-state spectroscopy and crystallography

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Engineering, Macquarie University Sustainable Energy Research Centre, Macquarie University, Sydney, New South Wales2109, Australia

School of Materials Science and Engineering, University of New South Wales (UNSW), Sydney, New South Wales2052, Australia

Global Innovative Centre for Advanced Nanomaterials, School of Engineering, College of Engineering, Science and Environment, The University of Newcastle, Callaghan, New South Wales2308, Australia

School of Chemistry and Chemical Engineering, Henan Institute of Science and Technology, Xinxiang, Henan453003, P. R. China

School of Photovoltaics and Renewable Energy Engineering, University of New South Wales (UNSW), Sydney, New South Wales2052, Australia

Electron Microscope Unit, Mark Wainwright Analytical Centre, UNSW Sydney, Sydney, New South Wales2052, Australia

Departament de Física, Universitat Politècnica de Catalunya, Campus Nord B4−B5, E-08034Barcelona, Spain

R&D Center, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai201899, P. R. China

Funding

Ministerio de Ciencia, Innovaci?n y Universidades · Australian Research Council · Science and Technology Commission of Shanghai Municipality · Australian Renewable Energy Agency

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