How far does the defect tolerance of lead-halide perovskites range? The example of Bi impurities introducing efficient recombination centers

Yavari, Mozhgan; Ebadi, Firouzeh; Meloni, Simone; Wang, Zi Shuai; Yang, Terry Chien-Jen; Sun, Shijing; Schwartz, Heidi; Wang, Zaiwei; Niesen, Bjoern; Durantini, Javier; Rieder, Philipp; Tvingstedt, Kristofer; Buonassisi, Tonio; Choy, Wallace C.  H.; Filippetti, Alessio; Dittrich, Thomas; Olthof, Selina; Correa-Baena, Juan-Pablo; Tress, Wolfgang

doi:10.1039/C9TA01744E

Title: How far does the defect tolerance of lead-halide perovskites range? The example of Bi impurities introducing efficient recombination centers

Journal Article · Tue Jan 01 00:00:00 EST 2019 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/C9TA01744E· OSTI ID:1575035

Yavari, Mozhgan ^[1]; Ebadi, Firouzeh ^[2];

^[3];

^[4];

^[5]; Sun, Shijing ^[6];

^[7]; Wang, Zaiwei ^[2]; Niesen, Bjoern ^[5]; Durantini, Javier ^[8]; Rieder, Philipp ^[9];

^[9]; Buonassisi, Tonio ^[6];

^[10];

^[11]; Dittrich, Thomas ^[12]; Olthof, Selina ^[7];

^[6];

^[2]

École Polytechnique Fédérale de Lausanne; Laboratory of Photomolecular Science; CH-1015 Lausanne; Switzerland; Department of Chemistry
École Polytechnique Fédérale de Lausanne; Laboratory of Photomolecular Science; CH-1015 Lausanne; Switzerland
Department of Mechanical and Aerospace Engineering; University of Rome “Sapienza”; 00184 Roma; Italy
École Polytechnique Fédérale de Lausanne; Laboratory of Photomolecular Science; CH-1015 Lausanne; Switzerland; Department of Electrical and Electronic Engineering
Photovoltaics and Thin-Film Electronics Laboratory (PV-Lab); Institute of Microengineering (IMT); École Polytechnique Fédérale de Lausanne (EPFL); Neuchâtel 2002; Switzerland
Massachusetts Institute of Technology; Cambridge; USA
Department of Chemistry; University of Cologne; 50939 Cologne; Germany
Departamento de Química; Universidad Nacional de Río Cuarto; Córdoba; Argentina
Experimental Physics VI; Julius Maximilian University of Würzburg; 97074 Würzburg; Germany
Department of Electrical and Electronic Engineering; The University of Hong Kong; Hong Kong SAR; China
Dipartimento di Fisica; Università di Cagliari; Consiglio Nazionale delle Ricerche CNR-IOM; Cittadella Universitaria; Monserrato 09042-I (CA)
Institut für Siliziumphotovoltaik; Helmholtz-Zentrum Berlin für Materialien and Energie GmbH; 12489 Berlin; Germany

Experimental and theoretical study on the effect of shallow and deep defects on photovoltaic performance, luminescence, surface photovoltage, and density of states.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: FOREIGN

OSTI ID:: 1575035

Journal Information:: Journal of Materials Chemistry. A, Vol. 7, Issue 41; ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: ENGLISH

References (51)

Promises and challenges of perovskite solar cells Correa-Baena, Juan-Pablo; Saliba, Michael; Buonassisi, Tonio Science, Vol. 358, Issue 6364 https://doi.org/10.1126/science.aam6323	journal	November 2017
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051 https://doi.org/10.1021/ja809598r	journal	May 2009
Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9% Kim, Hui-Seon; Lee, Chang-Ryul; Im, Jeong-Hyeok Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00591	journal	August 2012
Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance De Wolf, Stefaan; Holovsky, Jakub; Moon, Soo-Jin The Journal of Physical Chemistry Letters, Vol. 5, Issue 6 https://doi.org/10.1021/jz500279b	journal	March 2014
Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH₃NH₃PbI₃ Xing, G.; Mathews, N.; Sun, S. Science, Vol. 342, Issue 6156, p. 344-347 https://doi.org/10.1126/science.1243167	journal	October 2013
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Is the Cu/Zn Disorder the Main Culprit for the Voltage Deficit in Kesterite Solar Cells? Bourdais, Stéphane; Choné, Christophe; Delatouche, Bruno Advanced Energy Materials, Vol. 6, Issue 12 https://doi.org/10.1002/aenm.201502276	journal	March 2016
The current status and future prospects of kesterite solar cells: a brief review: Kesterite solar cells Liu, Xiaolei; Feng, Yu; Cui, Hongtao Progress in Photovoltaics: Research and Applications, Vol. 24, Issue 6 https://doi.org/10.1002/pip.2741	journal	January 2016
Predicting the Open-Circuit Voltage of CH ₃ NH ₃ PbI ₃ Perovskite Solar Cells Using Electroluminescence and Photovoltaic Quantum Efficiency Spectra: the Role of Radiative and Non-Radiative Recombination Tress, Wolfgang; Marinova, Nevena; Inganäs, Olle Advanced Energy Materials, Vol. 5, Issue 3 https://doi.org/10.1002/aenm.201400812	journal	September 2014
Efficient luminescent solar cells based on tailored mixed-cation perovskites Bi, Dongqin; Tress, Wolfgang; Dar, M. Ibrahim Science Advances, Vol. 2, Issue 1 https://doi.org/10.1126/sciadv.1501170	journal	January 2016
Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance Saliba, M.; Matsui, T.; Domanski, K. Science, Vol. 354, Issue 6309 https://doi.org/10.1126/science.aah5557	journal	September 2016
Perovskite Solar Cells on the Way to Their Radiative Efficiency Limit - Insights Into a Success Story of High Open-Circuit Voltage and Low Recombination Tress, Wolfgang Advanced Energy Materials, Vol. 7, Issue 14 https://doi.org/10.1002/aenm.201602358	journal	March 2017
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells Shockley, William; Queisser, Hans J. Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519 https://doi.org/10.1063/1.1736034	journal	March 1961
Reduced Interface-Mediated Recombination for High Open-Circuit Voltages in CH ₃ NH ₃ PbI ₃ Solar Cells Wolff, Christian M.; Zu, Fengshuo; Paulke, Andreas Advanced Materials, Vol. 29, Issue 28 https://doi.org/10.1002/adma.201700159	journal	May 2017
High-Bandgap Perovskite Materials for Multijunction Solar Cells Yang, Terry Chien-Jen; Fiala, Peter; Jeangros, Quentin Joule, Vol. 2, Issue 8 https://doi.org/10.1016/j.joule.2018.05.008	journal	August 2018
Open-Circuit Voltages Exceeding 1.26 V in Planar Methylammonium Lead Iodide Perovskite Solar Cells Liu, Zhifa; Krückemeier, Lisa; Krogmeier, Benedikt ACS Energy Letters, Vol. 4, Issue 1 https://doi.org/10.1021/acsenergylett.8b01906	journal	December 2018
The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite Kim, Jongseob; Lee, Sung-Hoon; Lee, Jung Hoon The Journal of Physical Chemistry Letters, Vol. 5, Issue 8 https://doi.org/10.1021/jz500370k	journal	March 2014
Materials Processing Routes to Trap-Free Halide Perovskites Buin, Andrei; Pietsch, Patrick; Xu, Jixian Nano Letters, Vol. 14, Issue 11 https://doi.org/10.1021/nl502612m	journal	October 2014
Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites Brandt, Riley E.; Stevanović, Vladan; Ginley, David S. MRS Communications, Vol. 5, Issue 2 https://doi.org/10.1557/mrc.2015.26	journal	May 2015
Origin of High Electronic Quality in Structurally Disordered CH ₃ NH ₃ PbI ₃ and the Passivation Effect of Cl and O at Grain Boundaries Yin, Wan-Jian; Chen, Hangyan; Shi, Tingting Advanced Electronic Materials, Vol. 1, Issue 6 https://doi.org/10.1002/aelm.201500044	journal	April 2015
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH ₃ NH ₃ PbI ₃ Perovskite by Time-Domain Atomistic Simulation Long, Run; Liu, Jin; Prezhdo, Oleg V. Journal of the American Chemical Society, Vol. 138, Issue 11 https://doi.org/10.1021/jacs.6b00645	journal	March 2016
The role of grain boundaries in perovskite solar cells Lee, Jin-Wook; Bae, Sang-Hoon; De Marco, Nicholas Materials Today Energy, Vol. 7 https://doi.org/10.1016/j.mtener.2017.07.014	journal	March 2018
Metal Halide Perovskite Polycrystalline Films Exhibiting Properties of Single Crystals Brenes, Roberto; Guo, Dengyang; Osherov, Anna Joule, Vol. 1, Issue 1 https://doi.org/10.1016/j.joule.2017.08.006	journal	September 2017
Overcoming the Interface Losses in Planar Heterojunction Perovskite-Based Solar Cells Hou, Yi; Chen, Wei; Baran, Derya Advanced Materials, Vol. 28, Issue 25 https://doi.org/10.1002/adma.201504168	journal	May 2016
Removing Leakage and Surface Recombination in Planar Perovskite Solar Cells Tvingstedt, Kristofer; Gil-Escrig, Lidón; Momblona, Cristina ACS Energy Letters, Vol. 2, Issue 2 https://doi.org/10.1021/acsenergylett.6b00719	journal	January 2017
Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance Huang, He; Bodnarchuk, Maryna I.; Kershaw, Stephen V. ACS Energy Letters, Vol. 2, Issue 9 https://doi.org/10.1021/acsenergylett.7b00547	journal	August 2017
Unusual defect physics in CH ₃ NH ₃ PbI ₃ perovskite solar cell absorber Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa Applied Physics Letters, Vol. 104, Issue 6 https://doi.org/10.1063/1.4864778	journal	February 2014
High Tolerance to Iron Contamination in Lead Halide Perovskite Solar Cells Poindexter, Jeremy R.; Hoye, Robert L. Z.; Nienhaus, Lea ACS Nano, Vol. 11, Issue 7 https://doi.org/10.1021/acsnano.7b02734	journal	July 2017
Large Perovskite Grain Growth in Low-Temperature Solution-Processed Planar p-i-n Solar Cells by Sodium Addition Bag, Santanu; Durstock, Michael F. ACS Applied Materials & Interfaces, Vol. 8, Issue 8 https://doi.org/10.1021/acsami.5b11494	journal	February 2016
n-Type Doping and Energy States Tuning in CH ₃ NH ₃ Pb _{1– x} Sb _{2 x /3} I ₃ Perovskite Solar Cells Zhang, Jing; Shang, Ming-hui; Wang, Peng ACS Energy Letters, Vol. 1, Issue 3 https://doi.org/10.1021/acsenergylett.6b00241	journal	August 2016
Impact of Bi ³⁺ Heterovalent Doping in Organic–Inorganic Metal Halide Perovskite Crystals Nayak, Pabitra K.; Sendner, Michael; Wenger, Bernard Journal of the American Chemical Society, Vol. 140, Issue 2 https://doi.org/10.1021/jacs.7b11125	journal	January 2018
Photovoltage in nanocrystalline porous ${TiO}_{2}$ Duzhko, V.; Timoshenko, V. Yu.; Koch, F. Physical Review B, Vol. 64, Issue 7 https://doi.org/10.1103/physrevb.64.075204	journal	July 2001
Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep04467	journal	March 2014
Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure Ashari-Astani, Negar; Meloni, Simone; Salavati, Amir Hesam The Journal of Physical Chemistry C, Vol. 121, Issue 43 https://doi.org/10.1021/acs.jpcc.7b04898	journal	October 2017
Predictions for p-Type CH ₃ NH ₃ PbI ₃ Perovskites Shi, Tingting; Yin, Wan-Jian; Yan, Yanfa The Journal of Physical Chemistry C, Vol. 118, Issue 44 https://doi.org/10.1021/jp508328u	journal	October 2014
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
First-Principles Modeling of Bismuth Doping in the MAPbI ₃ Perovskite Mosconi, Edoardo; Merabet, Boualem; Meggiolaro, Daniele The Journal of Physical Chemistry C, Vol. 122, Issue 25 https://doi.org/10.1021/acs.jpcc.8b01307	journal	December 2017
Evidence for ion migration in hybrid perovskite solar cells with minimal hysteresis Calado, Philip; Telford, Andrew M.; Bryant, Daniel Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13831	journal	December 2016
Optoelectronic Studies of Methylammonium Lead Iodide Perovskite Solar Cells with Mesoporous TiO ₂ : Separation of Electronic and Chemical Charge Storage, Understanding Two Recombination Lifetimes, and the Evolution of Band Offsets during J – V Hysteresis O’Regan, Brian C.; Barnes, Piers R. F.; Li, Xiaoe Journal of the American Chemical Society, Vol. 137, Issue 15 https://doi.org/10.1021/jacs.5b00761	journal	April 2015
Anomalous Hysteresis in Perovskite Solar Cells Snaith, Henry J.; Abate, Antonio; Ball, James M. The Journal of Physical Chemistry Letters, Vol. 5, Issue 9 https://doi.org/10.1021/jz500113x	journal	April 2014
Influence of Hole-Transport Layers and Donor Materials on Open-Circuit Voltage and Shape of I-V Curves of Organic Solar Cells Tress, Wolfgang; Leo, Karl; Riede, Moritz Advanced Functional Materials, Vol. 21, Issue 11 https://doi.org/10.1002/adfm.201002669	journal	April 2011
Ultrabroad Photoluminescence and Electroluminescence at New Wavelengths from Doped Organometal Halide Perovskites Zhou, Yang; Yong, Zi-Jun; Zhang, Kai-Cheng The Journal of Physical Chemistry Letters, Vol. 7, Issue 14 https://doi.org/10.1021/acs.jpclett.6b01147	journal	June 2016
Revisiting photocarrier lifetimes in photovoltaics Stranks, Samuel D.; Petrozza, Annamaria Nature Photonics, Vol. 10, Issue 9 https://doi.org/10.1038/nphoton.2016.164	journal	August 2016
Interpretation and evolution of open-circuit voltage, recombination, ideality factor and subgap defect states during reversible light-soaking and irreversible degradation of perovskite solar cells Tress, Wolfgang; Yavari, Mozhgan; Domanski, Konrad Energy & Environmental Science, Vol. 11, Issue 1 https://doi.org/10.1039/c7ee02415k	journal	January 2018
Heterovalent Dopant Incorporation for Bandgap and Type Engineering of Perovskite Crystals Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Murali, Banavoth The Journal of Physical Chemistry Letters, Vol. 7, Issue 2 https://doi.org/10.1021/acs.jpclett.5b02681	journal	January 2016
Maximum Efficiency and Open-Circuit Voltage of Perovskite Solar Cells Tress, Wolfgang Organic-Inorganic Halide Perovskite Photovoltaics https://doi.org/10.1007/978-3-319-35114-8_3	book	July 2016
Surface photovoltage phenomena: theory, experiment, and applications Kronik, L. Surface Science Reports, Vol. 37, Issue 1-5 https://doi.org/10.1016/S0167-5729(99)00002-3	journal	December 1999
Substrate-dependent electronic structure and film formation of MAPbI3 perovskites Olthof, Selina; Meerholz, Klaus Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep40267	journal	January 2017
Electronic band structure and carrier concentration of formamidinium–cesium mixed cation lead mixed halide hybrid perovskites Prathapani, Sateesh; Bhargava, Parag; Mallick, Sudhanshu Applied Physics Letters, Vol. 112, Issue 9 https://doi.org/10.1063/1.5016829	journal	February 2018
Inner-orbital binding-energy shifts of antimony and bismuth compounds Morgan, Wayne E.; Stec, Wojciech J.; Van Wazer, John R. Inorganic Chemistry, Vol. 12, Issue 4 https://doi.org/10.1021/ic50122a054	journal	April 1973
Spectral Studies of Lead-Free Organic-Inorganic Hybrid Solid-State Perovskites CH ₃ NH ₃ Bi _2/3 I ₃ and CH ₃ NH ₃ Pb _1/2 Bi _1/3 I ₃ : Potential Photo Absorbers Dey, Pritam; Khorwal, Vijaykant; Sen, Pratik ChemistrySelect, Vol. 3, Issue 2 https://doi.org/10.1002/slct.201702745	journal	January 2018

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