Defect-induced band-edge reconstruction of a bismuth-halide double perovskite for visible-light absorption

Slavney, Adam H.; Leppert, Linn; Bartesaghi, Davide; Gold-Parker, Aryeh; Toney, Michael F.; Savenije, Tom J.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.

doi:10.1021/jacs.7b01629

Defect-induced band-edge reconstruction of a bismuth-halide double perovskite for visible-light absorption

Journal Article · Wed Mar 29 00:00:00 EDT 2017 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.7b01629· OSTI ID:1360903

Slavney, Adam H. ^[1]; Leppert, Linn ^[2]; Bartesaghi, Davide ^[3]; Gold-Parker, Aryeh ^[4]; ^[5]; Savenije, Tom J. ^[6]; Neaton, Jeffrey B. ^[7]; ^[1]

Stanford Univ., Stanford, CA (United States). Dept. of Chemistry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
Delft Univ. of Technology, Delft (The Netherlands). Dept. of Chemical Engineering and Optoelectronic Materials Section; Materials Innovation Institute (M2i), Delft (The Netherlands)
Stanford Univ., Stanford, CA (United States). Dept. of Chemistry; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
Delft Univ. of Technology, Delft (The Netherlands). Dept. of Chemical Engineering and Optoelectronic Materials Section
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics; Kavli Energy NanoScience, Berkeley, CA (United States)

In this study, halide double perovskites have recently been developed as less toxic analogs of the lead perovskite solar-cell absorbers APbX₃ (A = monovalent cation; X = Br or I). However, all known halide double perovskites have large bandgaps that afford weak visible-light absorption. The first halide double perovskite evaluated as an absorber, Cs₂AgBiBr₆ (1), has a bandgap of 1.95 eV. Here, we show that dilute alloying decreases 1’s bandgap by ca. 0.5 eV. Importantly, time-resolved photoconductivity measurements reveal long-lived carriers with microsecond lifetimes in the alloyed material, which is very promising for photovoltaic applications. The alloyed perovskite described herein is the first double perovskite to show comparable bandgap energy and carrier lifetime to those of (CH₃NH₃)PbI₃. By describing how energy- and symmetry-matched impurity orbitals, at low concentrations, dramatically alter 1’s band edges, we open a potential pathway for the large and diverse family of halide double perovskites to compete with APbX₃ absorbers.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Lab. (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; Sloan Foundation; Alexander von Humboldt Foundation; Netherlands Organization for Scientific Research (NWO); National Science Foundation (NSF)

Grant/Contract Number:: AC02-76SF00515; AC02-05CH11231

OSTI ID:: 1360903

Alternate ID(s):: OSTI ID: 1458491

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 14 Vol. 139; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (22)

New Visible Light Absorbing Materials for Solar Fuels, Ga(Sb _x )N _{1− x} Sunkara, Swathi; Vendra, Venkat Kalyan; Jasinski, Jacek Bogdan Advanced Materials, Vol. 26, Issue 18 https://doi.org/10.1002/adma.201305083	journal	February 2014
Cs ₂ AgBiX ₆ (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors McClure, Eric T.; Ball, Molly R.; Windl, Wolfgang Chemistry of Materials, Vol. 28, Issue 5 https://doi.org/10.1021/acs.chemmater.5b04231	journal	February 2016
Chemical Approaches to Addressing the Instability and Toxicity of Lead–Halide Perovskite Absorbers Slavney, Adam H.; Smaha, Rebecca W.; Smith, Ian C. Inorganic Chemistry, Vol. 56, Issue 1 https://doi.org/10.1021/acs.inorgchem.6b01336	journal	August 2016
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
Charge Carrier Lifetimes Exceeding 15 μs in Methylammonium Lead Iodide Single Crystals Bi, Yu; Hutter, Eline M.; Fang, Yanjun The Journal of Physical Chemistry Letters, Vol. 7, Issue 5 https://doi.org/10.1021/acs.jpclett.6b00269	journal	February 2016
Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals Volonakis, George; Filip, Marina R.; Haghighirad, Amir Abbas The Journal of Physical Chemistry Letters, Vol. 7, Issue 7 https://doi.org/10.1021/acs.jpclett.6b00376	journal	March 2016
Cs ₂ InAgCl ₆ : A New Lead-Free Halide Double Perovskite with Direct Band Gap Volonakis, George; Haghighirad, Amir Abbas; Milot, Rebecca L. The Journal of Physical Chemistry Letters, Vol. 8, Issue 4 https://doi.org/10.1021/acs.jpclett.6b02682	journal	January 2017
Anomalous Band Gap Behavior in Mixed Sn and Pb Perovskites Enables Broadening of Absorption Spectrum in Solar Cells Hao, Feng; Stoumpos, Constantinos C.; Chang, Robert P. H. Journal of the American Chemical Society, Vol. 136, Issue 22 https://doi.org/10.1021/ja5033259	journal	May 2014
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
A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications Slavney, Adam H.; Hu, Te; Lindenberg, Aaron M. Journal of the American Chemical Society, Vol. 138, Issue 7 https://doi.org/10.1021/jacs.5b13294	journal	February 2016
Revealing the Dynamics of Charge Carriers in Polymer:Fullerene Blends Using Photoinduced Time-Resolved Microwave Conductivity Savenije, Tom J.; Ferguson, Andrew J.; Kopidakis, Nikos The Journal of Physical Chemistry C, Vol. 117, Issue 46 https://doi.org/10.1021/jp406706u	journal	October 2013
Metal halide perovskites for energy applications Zhang, Wei; Eperon, Giles E.; Snaith, Henry J. Nature Energy, Vol. 1, Issue 6 https://doi.org/10.1038/nenergy.2016.48	journal	May 2016
Toxicity of organometal halide perovskite solar cells Babayigit, Aslihan; Ethirajan, Anitha; Muller, Marc Nature Materials, Vol. 15, Issue 3 https://doi.org/10.1038/nmat4572	journal	February 2016
The synthesis, structure and electronic properties of a lead-free hybrid inorganic–organic double perovskite (MA) ₂ KBiCl ₆ (MA = methylammonium) Wei, Fengxia; Deng, Zeyu; Sun, Shijing Materials Horizons, Vol. 3, Issue 4 https://doi.org/10.1039/C6MH00053C	journal	January 2016
Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach Deng, Zeyu; Wei, Fengxia; Sun, Shijing Journal of Materials Chemistry A, Vol. 4, Issue 31 https://doi.org/10.1039/C6TA05817E	journal	January 2016
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Hybrid perovskites for photovoltaics: Insights from first principles Filippetti, A.; Mattoni, A. Physical Review B, Vol. 89, Issue 12 https://doi.org/10.1103/PhysRevB.89.125203	journal	March 2014
Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers Brivio, Federico; Butler, Keith T.; Walsh, Aron Physical Review B, Vol. 89, Issue 15 https://doi.org/10.1103/PhysRevB.89.155204	journal	April 2014
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Red Shift of Photoluminescence and Absorption in Dilute GaAsN Alloy Layers Weyers, Markus; Sato, Michio; Ando, Hiroaki Japanese Journal of Applied Physics, Vol. 31, Issue Part 2, No. 7A https://doi.org/10.1143/JJAP.31.L853	journal	July 1992
Lead Poisoning Needleman, Herbert Annual Review of Medicine, Vol. 55, Issue 1 https://doi.org/10.1146/annurev.med.55.091902.103653	journal	February 2004
XANES Studies of Thallium Compounds and Valence States and Local Environment of Thallium in Some of its Superconducting Cuprates Agarwal, Arvind; Vishnoi, A. N. Physica Scripta https://doi.org/10.1238/Physica.Topical.115a00534	journal	January 2005

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