Impact of Bi doping on nonradiative carrier recombination in CsPbI3

Literature Information

Publication Date 2022-03-09
DOI 10.1039/D1CP05552F
Impact Factor 3.676
Authors

Jiajia Zhang, Chenggen Xie, Lijuan Chen


View Original

Abstract

Bi doping is attractive in lead halide perovskites due to the potential ability of narrowing the band gap and improving the structural stability. Nevertheless, whether Bi acts as a nonradiative recombination center is still under debate. Using first-principles calculations, here, we show that Bi-assisted recombination is very weak in CsPbI3 even with heavy doping, in spite of the fact that Bi creates a deep level in the band gap; however, Bi as an electron donor raises the Fermi level and facilitates the formation of interstitial iodine, which is the dominant recombination center in CsPbI3. We further suggest that Na as a shallow acceptor can counteract electrical doping of Bi and downshift the Fermi level, thus inhibiting the unwanted formation of interstitial iodine. Also, it is expected that Bi- and Na-doped CsPbI3 has higher phase stability compared with the pure system on account of the optimized tolerance factor. This work highlights the significance of taking into account the impact of compensating intrinsic defects on nonradiative recombination in studying heterovalent doping.

Related Literature

Synthesis of cationic poly((3-acrylamidopropyl)trimethylammonium chloride) by SARA ATRP in ecofriendly solvent mixtures

Patrícia V. Mendonça, Dominik Konkolewicz, Saadyah E. Averick, Arménio C. Serra, Anatoliy V. Popov, Tamaz Guliashvili, Krzysztof Matyjaszewski, Jorge F. J. Coelho

2014-06-19 Paper

DOI: 10.1039/C4PY00707G

Synthesis and properties of a rod-g-rod bottlebrush with a semirigid mesogen-jacketed polymer as the side chain

Hai-Jian Tian, Wei Qu, Yu-Feng Zhu, Zhihao Shen, Xing-He Fan

2014-04-22 Paper

DOI: 10.1039/C4PY00033A

Phosphazene-catalyzed ring-opening polymerization of ε-caprolactone: influence of solvents and initiators

Haleema Alamri, Junpeng Zhao, David Pahovnik, Nikos Hadjichristidis

2014-05-30 Paper

DOI: 10.1039/C4PY00493K

Macromolecular covalently cross-linked quaternary ammonium poly(ether ether ketone) with polybenzimidazole for anhydrous high temperature proton exchange membranes

Na Zhang, Chengji Zhao, Wenjia Ma, Shuang Wang, Baolong Wang, Gang Zhang, Xuefeng Li, Hui Na

2014-04-14 Paper

DOI: 10.1039/C4PY00234B

In vitro and in vivo application of hydroxypropyl-β-cyclodextrin-grafted polyethyleneimine used as a transdermal penetration enhancer

Ke Wang, Yan Yan, Guilan Zhao, Wei Xu, Kai Dong, Cuiyu You, Lu Zhang, Jianfeng Xing

2014-03-14 Paper

DOI: 10.1039/C4PY00286E

Synthesis of 3-, 4-, 5-, 6-, 7-, 8-, 9-, 10-, 11-, and 12-armed star-shaped poly(styrene oxide) Ru(ii) complexes by a click-to-chelate approach

Yougen Chen, Nao Xiao, Toshifumi Satoh, Toyoji Kakuchi

2014-04-15 Paper

DOI: 10.1039/C4PY00314D

Synthesis of multi-functionalized hydrogels by a thiolactone-based synthetic protocol

Stefan Reinicke, Pieter Espeel, Milan M. Stamenović, Filip E. Du Prez

2014-05-20 Paper

DOI: 10.1039/C4PY00468J

New thermal-responsive polymers based on alanine and (meth)acryl amides

Deyang Yu, Chunhui Luo, Wenxin Fu, Zhibo Li

2014-04-28 Paper

DOI: 10.1039/C4PY00480A

One-pot synthesis of POSS-containing alternating copolymers by RAFT polymerization and their microphase-separated nanostructures

Zhenghe Zhang, Lizhi Hong, Yun Gao, Weian Zhang

2014-04-07 Paper

DOI: 10.1039/C4PY00302K

Synthesis of core cross-linked star polystyrene with functional end groups and self-assemblies templated by breath figures

Liang-Wei Zhu, Wu Yang, Ling-Shu Wan, Zhi-Kang Xu

2014-05-14 Paper

DOI: 10.1039/C4PY00491D

You might also like

Compound Q&A

What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?

When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...

16712-20-2Lithium chloride hyd...
Compound Q&A

Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?

4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...

690261-92-84-(4H-1,2,4-Triazol-...
Compound Q&A

How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?

Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...

16733-85-01,3-Thiazole-2-carbo...
Compound Q&A

What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?

5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...

934175-58-35-(Difluoromethyl)-2...
Compound Q&A

How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?

Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...

22288-79-5Methyl 3-acetamido-2...
Compound Q&A

What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?

4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...

34846-65-64-Isoquinolinecarbon...
Compound Q&A

How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?

Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...

877309-59-6Methyl 1H-1,2,3-tria...
Compound Q&A

What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?

6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...

1160791-13-86-Bromo[1,3]thiazolo...
Compound Q&A

Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...

23651-95-8(2S,3S)-2-Ammonio-3-...
Compound Q&A

What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?

7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....

1293987-84-47-bromo-3-methyl-3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.