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Three-dimensional lead iodide perovskites based on complex ions
Wang, Hebin1; Yu, Yinye2,3,4; Lu, Haolin1; Wang, Teng1; Haruta, Yuki5; Wei, Xingzhan3; Xing, Guichuan6; Saidaminov, Makhsud I.7; Zhou, Yecheng2; Long, Guankui1
2024-01
Source PublicationMaterials Advances
ISSN2633-5409
Volume5Issue:1Pages:123-130
Abstract

Lead-halide perovskites have demonstrated outstanding optical, electrical, and spintronic properties and have made significant breakthroughs in many fields, especially in solar cells. Although substantial efforts have been devoted to developing novel 3D perovskites with a lower band gap towards the application in perovskite solar cells, none of them succeeded. Here we propose three novel 3D lead iodide perovskites with complex ions, Cu(NH)PbI, Ag(NH)PbI and Au(NH)PbI. Based on the optimized structures, formation and dissociation energies, phonon spectra, and ab initio molecular dynamics simulations, it is found that Ag(NH)PbI and Au(NH)PbI are kinetically and thermodynamically stable. Furthermore, Ag(NH)PbI and Au(NH)PbI exhibit large absorption coefficients, suitable optical band gaps and small electron effective masses, which are very promising towards application in perovskite solar cells.

DOI10.1039/d3ma00202k
URLView the original
Indexed ByESCI
Language英語English
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
WOS IDWOS:001063264800001
PublisherROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Scopus ID2-s2.0-85171573078
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Citation statistics
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorZhou, Yecheng; Long, Guankui
Affiliation1.School of Materials Science and Engineering, National Institute for Advanced Materials, Renewable Energy Conversion and Storage Center (RECAST), Nankai University, Tianjin, 300350, China
2.School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou, 510006, China
3.Micro-nano Manufacturing and System Integration Center, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing, 400714, China
4.University of Chinese Academy of Sciences, Beijing, No. 19A Yuquan Road, Shijingshan District, 100049, China
5.Department of Chemistry, University of Victoria, Victoria, V8P 5C2, Canada
6.Institute of Applied Physics and Materials Engineering, University of Macau, Macau, Avenida da Universidade, Taipa, 999078, Macao
7.Department of Chemistry, Department of Electrical & Computer Engineering, and Centre for Advanced Materials and Related Technologies (CAMTEC), University of Victoria, Victoria, V8P 5C2, Canada
Recommended Citation
GB/T 7714
Wang, Hebin,Yu, Yinye,Lu, Haolin,et al. Three-dimensional lead iodide perovskites based on complex ions[J]. Materials Advances, 2024, 5(1), 123-130.
APA Wang, Hebin., Yu, Yinye., Lu, Haolin., Wang, Teng., Haruta, Yuki., Wei, Xingzhan., Xing, Guichuan., Saidaminov, Makhsud I.., Zhou, Yecheng., & Long, Guankui (2024). Three-dimensional lead iodide perovskites based on complex ions. Materials Advances, 5(1), 123-130.
MLA Wang, Hebin,et al."Three-dimensional lead iodide perovskites based on complex ions".Materials Advances 5.1(2024):123-130.
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