ACS Publications. Most Trusted. Most Cited. Most Read
Bismuth Doping Alters Structural Phase Transitions in Methylammonium Lead Tribromide Single Crystals

OR SEARCH CITATIONS

My Activity
Publications

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. Lett. 2021, 12, 11, 2749-2755
    Physical Insights into Materials and Molecular Properties

    Bismuth Doping Alters Structural Phase Transitions in Methylammonium Lead Tribromide Single Crystals
    Click to copy article linkArticle link copied!

    Other Access OptionsSupporting Information (1)

    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2021, 12, 11, 2749–2755
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.1c00334
    Published March 11, 2021
    Copyright © 2021 American Chemical Society
    Request reuse permissions

    Abstract

    Click to copy section linkSection link copied!
    Abstract Image

    We study the effects of bismuth doping on the crystal structure and phase transitions in single crystals of the perovskite semiconductor methylammonium lead tribromide, MAPbBr3. By measuring the temperature-dependent specific heat capacity (Cp), we find that as the Bi doping increases, the phase transition assigned to the cubic to tetragonal phase boundary decreases in temperature. Furthermore, after doping we observe one phase transition between 135 and 155 K, in contrast to two transitions observed in the undoped single crystal. These results appear strikingly similar to previously reported effects of mechanical pressure on perovskite crystal structure. Using X-ray diffraction, we show that the lattice constant decreases as Bi is incorporated into the crystal, as predicted by density functional theory. We propose that bismuth substitutional doping on the lead site is dominant, resulting in BiPb+ centers that induce compressive chemical strain that alters the crystalline phase transitions.

    Copyright © 2021 American Chemical Society

    Subjects

    what are subjects

    Read this article

    To access this article, please review the available access options below.

    Get instant access

    Purchase Access

    Read this article for 48 hours. Check out below using your ACS ID or as a guest.

    Recommended

    Access through Your Institution

    You may have access to this article through your institution.

    Your institution does not have access to this content. Add or change your institution or let them know you’d like them to include access.

    Supporting Information

    Click to copy section linkSection link copied!

    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpclett.1c00334.

    • Detailed single-crystal growth, characterizations (XRD, ICP-OES, microcalorimetry, conductivity), and DFT calculations (PDF)

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

    Cited By

    Click to copy section linkSection link copied!
    Citation Statements
    Explore this article's citation statements on scite.ai
    powered by  Scite

    This article is cited by 21 publications.

    1. Xin Wang, Yuzhu Pan, Yubing Xu, Tao Pang, Ziyu Wei, Dan Zhang, Ziyi Liu, Byung Seong Bae, Damian Chinedu Onwudiwe, Jing Chen, Jun Wu, Wei Lei. Photodiodes Made of Cascade Perovskite Single Crystals with Passivation Layers for High-Energy-Resolution γ-ray Spectroscopy. ACS Applied Materials & Interfaces 2024, 16 (43) , 58811-58817. https://doi.org/10.1021/acsami.4c11294
    2. Yubing Xu, Xin Wang, Shilin Liu, Yuzhu Pan, Abida Perveen, Damian Chinedu Onwudiwe, Omolola Esther Fayemi, Elias Emeka Elemike, Byung Seong Bae, Ying Zhu, Razika Zair Talaighil, Xiaobing Zhang, Jing Chen, Zhiwei Zhao, Qing Li, Wei Lei, Xiaobao Xu. Sensitive Thermography via Sensing Visible Photons Detected from the Manipulation of the Trap State in MAPbX3. ACS Applied Materials & Interfaces 2023, 15 (48) , 56526-56536. https://doi.org/10.1021/acsami.3c13305
    3. Ilka Vinçon, Anja Barfüßer, Jochen Feldmann, Quinten A. Akkerman. Quantum Dot Metal Salt Interactions Unraveled by the Sphere of Action Model. Journal of the American Chemical Society 2023, 145 (26) , 14395-14403. https://doi.org/10.1021/jacs.3c03582
    4. Israel S. Torres, Juarez L. F. Da Silva, Matheus P. Lima. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface. The Journal of Physical Chemistry C 2023, 127 (4) , 1713-1721. https://doi.org/10.1021/acs.jpcc.2c07332
    5. Giancarlo da Silva Sousa, Francisco Xavier Nobre, Marcus Valério Botelho do Nascimento, Otoniel da Cunha Mendes, Lizandro Manzato, Yurimiler Leyet Ruiz, Walter Ricardo Brito, Paulo Rogério da Costa Couceiro, José Milton Elias de Matos. Rietveld Refinement, Morphology, and Optical and Photoluminescence Properties of a β-Ag1.94Cu0.06MoO4 Solid Solution. Inorganic Chemistry 2022, 61 (3) , 1530-1537. https://doi.org/10.1021/acs.inorgchem.1c03245
    6. John L. Lyons. Effective Donor Dopants for Lead Halide Perovskites. Chemistry of Materials 2021, 33 (15) , 6200-6205. https://doi.org/10.1021/acs.chemmater.1c01898
    7. Julian A. Steele, Vittal Prakasam, Haowei Huang, Eduardo Solano, Dmitry Chernyshov, Johan Hofkens, Maarten B. J. Roeffaers. Trojans That Flip the Black Phase: Impurity-Driven Stabilization and Spontaneous Strain Suppression in γ-CsPbI3 Perovskite. Journal of the American Chemical Society 2021, 143 (28) , 10500-10508. https://doi.org/10.1021/jacs.1c05046
    8. Jiyuan Chen, Chao Sun, Yulong Xiang, Xue-Lu Wang, Ye-Feng Yao. Bismuth-doped methylamine lead bromide perovskite CH3NH3PbBr3 single crystals for efficient hydrogen evolution via hydrobromic acid splitting. Journal of Colloid and Interface Science 2025, 693 , 137567. https://doi.org/10.1016/j.jcis.2025.137567
    9. Zhenyu Wang, Hui Zhang, Zihan Wang, Changmao Wan, Yuanbo Ma, Yupeng Liu, Chentai Cao, Shuo Song, Jiajiu Ye, Xu Pan. Enhancing the Performance and Stability of FAPbI 3 Perovskite X‐ray Detectors via Bi‐Doping. physica status solidi (RRL) – Rapid Research Letters 2025, 19 (4) https://doi.org/10.1002/pssr.202400342
    10. Sarah Brittman, Brendon T. Jones, Michael H. Stewart, Barbara A. Marcheschi, Paul D. Cunningham, Nicholas V. Proscia, Chase T. Ellis, John P. Murphy, Kyle Sendgikoski, Todd H. Brintlinger, John L. Lyons. Near-infrared photoluminescence from bismuth, a deep defect in cesium lead bromide perovskite. Applied Physics Letters 2025, 126 (3) https://doi.org/10.1063/5.0244431
    11. Sarah Su‐O Youn, Gee Yeong Kim, William Jo. Structural Modifications due to Bi‐Doping in MAPbBr 3 Single Crystals and Their Impact on Electronic Transport and Stability. Small 2024, 20 (51) https://doi.org/10.1002/smll.202407141
    12. Premkumar Sellan, Manigandan Selvan, Abida Perveen, Din Nasrud, Sakthivel Chandrasekar, Pitchaikannu Venkatraman, Devaraj Nataraj, Byung Seong Bae, Damian Chinedu Onwudiwe, Lei Wei. Preparation of bismuth-doped CsPbBr 3 perovskite single crystals for X-ray and gamma-ray sensing applications. Materials Advances 2024, 5 (15) , 6309-6318. https://doi.org/10.1039/D4MA00455H
    13. Atip Pengpad, Arunothai Rattanachata, Surachet Rattanasuporn, Watcharapon Jenpiyapong, Hideki Nakajima, Pisist Kumnorkaew, Wirat Jarernboon, Vittaya Amornkitbamrung. The impact of bi-doped on MAPb(I x Br 1–x ) 3 mixed halide perovskite films. Physica Scripta 2024, 99 (6) , 065937. https://doi.org/10.1088/1402-4896/ad4522
    14. Yubing Xu, Xin Wang, Yuzhu Pan, ShunJie Chai, Jie Wu, Mengrou Wang, Abida Perveen, Damian Chinedu Onwudiwe, Razika Zair Talaighil, Byung Seong Bae, Ying Zhu, Jing Chen, Wei Lei. Bismuth-doping induced red-shifted spectral response of homo-epitaxial MAPbBr3 photodiodes. APL Materials 2023, 11 (12) https://doi.org/10.1063/5.0180460
    15. Lingyu Zhang, Yuan Deng, Yao Wang. Electrical conduction behavior in ferroelectric polymer-based composites incorporating metal halide perovskite. Applied Physics Letters 2023, 123 (22) https://doi.org/10.1063/5.0172406
    16. Chao Liu, Hang Chen, Ping Lin, Haihua Hu, Qingyu Meng, Lingbo Xu, Peng Wang, Xiaoping Wu, Can Cui. Optimized photoelectric characteristics of MAPbCl 3 and MAPbBr 3 composite perovskite single crystal heterojunction photodetector. Journal of Physics: Condensed Matter 2022, 34 (40) , 405703. https://doi.org/10.1088/1361-648X/ac84bc
    17. Lixia Ren, Peng Zhai, Shuanhu Wang, Yinyi Tian, Kexin Jin, Shengzhong (Frank) Liu. First observation of magnon transport in organic-inorganic hybrid perovskite. Matter 2022, 5 (10) , 3391-3401. https://doi.org/10.1016/j.matt.2022.06.053
    18. Jiajia Zhang, Chenggen Xie, Lijuan Chen. Impact of Bi doping on nonradiative carrier recombination in CsPbI 3. Physical Chemistry Chemical Physics 2022, 24 (16) , 9551-9556. https://doi.org/10.1039/D1CP05552F
    19. E. Breniaux, P. Dufour, J. Esvan, S. Mallet-Ladeira, A. Balocchi, C. Tenailleau. Spontaneous moisture-driven formation of Cs2Pb1-xMxCl2I2 single crystals with M = Bi, In, Ga and Cr. Journal of Crystal Growth 2022, 584 , 126584. https://doi.org/10.1016/j.jcrysgro.2022.126584
    20. David E. Sommer, Daniel R. Gamelin, Scott T. Dunham. Defect formation in Yb-doped CsPbCl 3 from first principles with implications for quantum cutting. Physical Review Materials 2022, 6 (2) https://doi.org/10.1103/PhysRevMaterials.6.025404
    21. Candida Pipitone, Silvia Carlotto, Maurizio Casarin, Alessandro Longo, Antonino Martorana, Francesco Giannici. Bi 3+ doping in 1D ((CH 3 ) 3 SO)PbI 3 : a model for defect interactions in halide perovskites. Journal of Materials Chemistry C 2022, 10 (4) , 1458-1469. https://doi.org/10.1039/D1TC05057E
    Download PDF
    Go to The Journal of Physical Chemistry Letters
    Get e-Alerts
    Get e-Alerts

    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2021, 12, 11, 2749–2755
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.1c00334
    Published March 11, 2021
    Copyright © 2021 American Chemical Society
    Request reuse permissions

    Article Views

    1591

    Altmetric

    -

    Citations

    21
    Learn about these metrics

    Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

    Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

    The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.