On understanding bandgap bowing and optoelectronic quality in Pb–Sn alloy hybrid perovskites

Rajagopal, Adharsh; Stoddard, Ryan J.; Hillhouse, Hugh W.; Jen, Alex K. -Y.

doi:10.1039/c9ta05308e

On understanding bandgap bowing and optoelectronic quality in Pb–Sn alloy hybrid perovskites

Journal Article · 01 January 2019 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/c9ta05308e· OSTI ID:1613372

^[1]; Stoddard, Ryan J. ^[2]; Hillhouse, Hugh W. ^[2]; Jen, Alex K. -Y. ^[3]

Department of Materials Science and Engineering; University of Washington; Seattle; USA
Department of Chemical Engineering; Molecular Engineering and Sciences Institute; University of Washington; Seattle; USA
Department of Materials Science and Engineering; University of Washington; Seattle; USA; Department of Materials Science & Engineering

Experimental insights regarding bandgap evolution in hybrid perovskite alloys and the optimal small-bandgap absorber composition desired for next-generation perovskite tandems.

Research Organization:: Univ. of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: EE0006710; EE0008563

OSTI ID:: 1613372

Journal Information:: Journal of Materials Chemistry. A, Vol. 7, Issue 27; ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (67)

Toward Perovskite Solar Cell Commercialization: A Perspective and Research Roadmap Based on Interfacial Engineering Rajagopal, Adharsh; Yao, Kai; Jen, Alex K. -Y. Advanced Materials, Vol. 30, Issue 32 https://doi.org/10.1002/adma.201800455	journal	June 2018
Synthetic Approaches for Halide Perovskite Thin Films Dunlap-Shohl, Wiley A.; Zhou, Yuanyuan; Padture, Nitin P. Chemical Reviews, Vol. 119, Issue 5 https://doi.org/10.1021/acs.chemrev.8b00318	journal	November 2018
Perovskite precursor solution chemistry: from fundamentals to photovoltaic applications Jung, Minsu; Ji, Sang-Geun; Kim, Gwisu Chemical Society Reviews, Vol. 48, Issue 7 https://doi.org/10.1039/C8CS00656C	journal	January 2019
Perovskite Materials for Light-Emitting Diodes and Lasers Veldhuis, Sjoerd A.; Boix, Pablo P.; Yantara, Natalia Advanced Materials, Vol. 28, Issue 32 https://doi.org/10.1002/adma.201600669	journal	May 2016
Solution-processed semiconductors for next-generation photodetectors García de Arquer, F. Pelayo; Armin, Ardalan; Meredith, Paul Nature Reviews Materials, Vol. 2, Issue 3 https://doi.org/10.1038/natrevmats.2016.100	journal	January 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
Detailed balance limit of the efficiency of tandem solar cells Vos, A. De Journal of Physics D: Applied Physics, Vol. 13, Issue 5 https://doi.org/10.1088/0022-3727/13/5/018	journal	May 1980
Bandgap Optimization of Perovskite Semiconductors for Photovoltaic Applications Xiao, Zewen; Zhou, Yuanyuan; Hosono, Hideo Chemistry - A European Journal, Vol. 24, Issue 10 https://doi.org/10.1002/chem.201705031	journal	January 2018
Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties Brenner, Thomas M.; Egger, David A.; Kronik, Leeor Nature Reviews Materials, Vol. 1, Issue 1 https://doi.org/10.1038/natrevmats.2015.7	journal	January 2016
Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials Xiao, Zewen; Yan, Yanfa Advanced Energy Materials, Vol. 7, Issue 22 https://doi.org/10.1002/aenm.201701136	journal	August 2017
Interplay of Structural and Optoelectronic Properties in Formamidinium Mixed Tin-Lead Triiodide Perovskites Parrott, Elizabeth S.; Green, Thomas; Milot, Rebecca L. Advanced Functional Materials, Vol. 28, Issue 33 https://doi.org/10.1002/adfm.201802803	journal	June 2018
Homogenized halides and alkali cation segregation in alloyed organic-inorganic perovskites Correa-Baena, Juan-Pablo; Luo, Yanqi; Brenner, Thomas M. Science, Vol. 363, Issue 6427 https://doi.org/10.1126/science.aah5065	journal	February 2019
Structural Origin of Optical Bowing in Semiconductor Alloys Zunger, Alex; Jaffe, J. E. Physical Review Letters, Vol. 51, Issue 8 https://doi.org/10.1103/PhysRevLett.51.662	journal	August 1983
Electronic structure and density of states of the random Al 0.5 Ga 0.5 As, GaAs 0.5 P 0.5 , and Ga 0.5 In 0.5 As semiconductor alloys Magri, Rita; Froyen, Sverre; Zunger, Alex Physical Review B, Vol. 44, Issue 15 https://doi.org/10.1103/PhysRevB.44.7947	journal	October 1991
Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys Bernard, James E.; Zunger, Alex Physical Review B, Vol. 36, Issue 6 https://doi.org/10.1103/PhysRevB.36.3199	journal	August 1987
Compound semiconductor alloys: From atomic-scale structure to bandgap bowing Schnohr, C. S. Applied Physics Reviews, Vol. 2, Issue 3 https://doi.org/10.1063/1.4930002	journal	September 2015
Disorder effects on the density of states of the II-VI semiconductor alloys Hg 0.5 Cd 0.5 Te, Cd 0.5 Zn 0.5 Te, and Hg 0.5 Zn 0.5 Te Wei, Su-Huai; Zunger, Alex Physical Review B, Vol. 43, Issue 2 https://doi.org/10.1103/PhysRevB.43.1662	journal	January 1991
Short- and long-range-order effects on the electronic properties of III-V semiconductor alloys Mäder, Kurt A.; Zunger, Alex Physical Review B, Vol. 51, Issue 16 https://doi.org/10.1103/PhysRevB.51.10462	journal	April 1995
Theory of electronic structure evolution in GaAsN and GaPN alloys Kent, P. R. C.; Zunger, Alex Physical Review B, Vol. 64, Issue 11 https://doi.org/10.1103/PhysRevB.64.115208	journal	August 2001
Antagonism between Spin–Orbit Coupling and Steric Effects Causes Anomalous Band Gap Evolution in the Perovskite Photovoltaic Materials CH ₃ NH ₃ Sn _{1– x} Pb _x I ₃ Im, Jino; Stoumpos, Constantinos C.; Jin, Hosub The Journal of Physical Chemistry Letters, Vol. 6, Issue 17 https://doi.org/10.1021/acs.jpclett.5b01738	journal	August 2015
Perovskite-perovskite tandem photovoltaics with optimized band gaps Eperon, Giles E.; Leijtens, Tomas; Bush, Kevin A. Science, Vol. 354, Issue 6314 https://doi.org/10.1126/science.aaf9717	journal	October 2016
Origin of Pronounced Nonlinear Band Gap Behavior in Lead–Tin Hybrid Perovskite Alloys Goyal, Anuj; McKechnie, Scott; Pashov, Dimitar Chemistry of Materials, Vol. 30, Issue 11 https://doi.org/10.1021/acs.chemmater.8b01695	journal	May 2018
Stable Low-Bandgap Pb-Sn Binary Perovskites for Tandem Solar Cells Yang, Zhibin; Rajagopal, Adharsh; Chueh, Chu-Chen Advanced Materials, Vol. 28, Issue 40 https://doi.org/10.1002/adma.201602696	journal	August 2016
Improved efficiency and stability of Pb–Sn binary perovskite solar cells by Cs substitution Liu, Xiao; Yang, Zhibin; Chueh, Chu-Chen Journal of Materials Chemistry A, Vol. 4, Issue 46 https://doi.org/10.1039/C6TA07712A	journal	January 2016
Ideal Bandgap Organic-Inorganic Hybrid Perovskite Solar Cells Yang, Zhibin; Rajagopal, Adharsh; Jen, Alex K. -Y. Advanced Materials, Vol. 29, Issue 47 https://doi.org/10.1002/adma.201704418	journal	November 2017
Reducing Saturation-Current Density to Realize High-Efficiency Low-Bandgap Mixed Tin-Lead Halide Perovskite Solar Cells Li, Chongwen; Song, Zhaoning; Zhao, Dewei Advanced Energy Materials, Vol. 9, Issue 3 https://doi.org/10.1002/aenm.201803135	journal	November 2018
Efficient two-terminal all-perovskite tandem solar cells enabled by high-quality low-bandgap absorber layers Zhao, Dewei; Chen, Cong; Wang, Changlei Nature Energy, Vol. 3, Issue 12 https://doi.org/10.1038/s41560-018-0278-x	journal	November 2018
Tin–lead halide perovskites with improved thermal and air stability for efficient all-perovskite tandem solar cells Leijtens, Tomas; Prasanna, Rohit; Bush, Kevin A. Sustainable Energy & Fuels, Vol. 2, Issue 11 https://doi.org/10.1039/C8SE00314A	journal	January 2018
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
Methylammonium-free, high-performance, and stable perovskite solar cells on a planar architecture Turren-Cruz, Silver-Hamill; Hagfeldt, Anders; Saliba, Michael Science, Vol. 362, Issue 6413 https://doi.org/10.1126/science.aat3583	journal	October 2018
Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites Tan, Hairen; Che, Fanglin; Wei, Mingyang Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05531-8	journal	August 2018
Enhancing Defect Tolerance and Phase Stability of High-Bandgap Perovskites via Guanidinium Alloying Stoddard, Ryan J.; Rajagopal, Adharsh; Palmer, Ray L. ACS Energy Letters, Vol. 3, Issue 6 https://doi.org/10.1021/acsenergylett.8b00576	journal	May 2018
Structure and Properties of Sr _{1− x} Ca _x Mn _0.5 Ru _0.5 O ₃ Perovskites: Using Chemical Pressure to Control Mn/Ru Mixed Valency Ricciardo, Rebecca A.; Cuthbert, Heather L.; Woodward, Patrick M. Chemistry of Materials, Vol. 22, Issue 11 https://doi.org/10.1021/cm903848h	journal	June 2010
Effects of chemical pressure on the magnetic ground states of the osmate double perovskites SrCaCoOs O 6 and C a 2 CoOs O 6 Morrow, Ryan; Yan, Jiaqiang; McGuire, Michael A. Physical Review B, Vol. 92, Issue 9 https://doi.org/10.1103/PhysRevB.92.094435	journal	September 2015
Band-gap nonlinearity in perovskite structured solid solutions Lee, Soonil; Levi, Roni D.; Qu, Weiguo Journal of Applied Physics, Vol. 107, Issue 2 https://doi.org/10.1063/1.3291102	journal	January 2010
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
Thermodynamic stability of mixed Pb:Sn methyl-ammonium halide perovskites: Thermodynamic stability of M−0.35exA0.35ex(Pb:Sn)X3 Korshunova, Ksenia; Winterfeld, Lars; Beenken, Wichard J. D. physica status solidi (b), Vol. 253, Issue 10 https://doi.org/10.1002/pssb.201600136	journal	June 2016
Dynamic Stereochemical Activity of the Sn ²⁺ Lone Pair in Perovskite CsSnBr ₃ Fabini, Douglas H.; Laurita, Geneva; Bechtel, Jonathon S. Journal of the American Chemical Society, Vol. 138, Issue 36 https://doi.org/10.1021/jacs.6b06287	journal	September 2016
Overcoming the Photovoltage Plateau in Large Bandgap Perovskite Photovoltaics Rajagopal, Adharsh; Stoddard, Ryan J.; Jo, Sae Byeok Nano Letters, Vol. 18, Issue 6 https://doi.org/10.1021/acs.nanolett.8b01480	journal	May 2018
A re-examination of the relationship between lattice strain, octahedral tilt angle and octahedral strain in rhombohedral perovskites Thomas, N. W. Acta Crystallographica Section B Structural Science, Vol. 52, Issue 6 https://doi.org/10.1107/S0108768196009214	journal	December 1996
Strain Tuning of Tin–Halide and Lead–Halide Perovskites: A First-Principles Atomic and Electronic Structure Study Grote, Christopher; Berger, Robert F. The Journal of Physical Chemistry C, Vol. 119, Issue 40 https://doi.org/10.1021/acs.jpcc.5b07446	journal	September 2015
Influence of Rb/Cs Cation-Exchange on Inorganic Sn Halide Perovskites: From Chemical Structure to Physical Properties Jung, Young-Kwang; Lee, Ji-Hwan; Walsh, Aron Chemistry of Materials, Vol. 29, Issue 7 https://doi.org/10.1021/acs.chemmater.7b00260	journal	March 2017
Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX ₃ and CsPbX ₃ (X = F, Cl, Br, I) Yang, Ruo Xi; Skelton, Jonathan M.; da Silva, E. Lora The Journal of Physical Chemistry Letters, Vol. 8, Issue 19 https://doi.org/10.1021/acs.jpclett.7b02423	journal	September 2017
Octahedral tilting instabilities in inorganic halide perovskites Bechtel, Jonathon S.; Van der Ven, Anton Physical Review Materials, Vol. 2, Issue 2 https://doi.org/10.1103/PhysRevMaterials.2.025401	journal	February 2018
Mixed A-Cation Perovskites for Solar Cells: Atomic-Scale Insights Into Structural Distortion, Hydrogen Bonding, and Electronic Properties Ghosh, Dibyajyoti; Smith, Alexander R.; Walker, Alison B. Chemistry of Materials, Vol. 30, Issue 15 https://doi.org/10.1021/acs.chemmater.8b01851	journal	July 2018
Steric engineering of metal-halide perovskites with tunable optical band gaps Filip, Marina R.; Eperon, Giles E.; Snaith, Henry J. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6757	journal	December 2014
Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites Lee, Jung-Hoon; Bristowe, Nicholas C.; Lee, June Ho Chemistry of Materials, Vol. 28, Issue 12 https://doi.org/10.1021/acs.chemmater.6b00968	journal	June 2016
Mechanism of Tin Oxidation and Stabilization by Lead Substitution in Tin Halide Perovskites Leijtens, Tomas; Prasanna, Rohit; Gold-Parker, Aryeh ACS Energy Letters, Vol. 2, Issue 9 https://doi.org/10.1021/acsenergylett.7b00636	journal	August 2017
Inert Pair Effects in Tin and Lead Dihalides: Crystal Structure of Tin(II) Bromide Abrahams, I.; Demetriou, D. Z. Journal of Solid State Chemistry, Vol. 149, Issue 1 https://doi.org/10.1006/jssc.1999.8489	journal	January 2000
Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas Journal of the American Chemical Society, Vol. 139, Issue 32 https://doi.org/10.1021/jacs.7b04981	journal	August 2017
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting Amat, Anna; Mosconi, Edoardo; Ronca, Enrico Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl5012992	journal	May 2014
Bandgap calculations and trends of organometal halide perovskites Castelli, Ivano E.; García-Lastra, Juan María; Thygesen, Kristian S. APL Materials, Vol. 2, Issue 8 https://doi.org/10.1063/1.4893495	journal	August 2014
Band alignment of the hybrid halide perovskites CH ₃ NH ₃ PbCl ₃ , CH ₃ NH ₃ PbBr ₃ and CH ₃ NH ₃ PbI ₃ Butler, Keith T.; Frost, Jarvist M.; Walsh, Aron Materials Horizons, Vol. 2, Issue 2 https://doi.org/10.1039/C4MH00174E	journal	January 2015
Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys Li, Zhen; Yang, Mengjin; Park, Ji-Sang Chemistry of Materials, Vol. 28, Issue 1 https://doi.org/10.1021/acs.chemmater.5b04107	journal	December 2015
Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells Noh, Jun Hong; Im, Sang Hyuk; Heo, Jin Hyuck Nano Letters, Vol. 13, Issue 4, p. 1764-1769 https://doi.org/10.1021/nl400349b	journal	March 2013
Phase behaviour and composition in the formamidinium–methylammonium hybrid lead iodide perovskite solid solution Weber, O. J.; Charles, B.; Weller, M. T. Journal of Materials Chemistry A, Vol. 4, Issue 40 https://doi.org/10.1039/C6TA06607K	journal	January 2016
Stabilized Wide Bandgap Perovskite Solar Cells by Tin Substitution Yang, Zhibin; Rajagopal, Adharsh; Jo, Sae Byeok Nano Letters, Vol. 16, Issue 12 https://doi.org/10.1021/acs.nanolett.6b03857	journal	November 2016
Tunable Near-Infrared Luminescence in Tin Halide Perovskite Devices Lai, May L.; Tay, Timothy Y. S.; Sadhanala, Aditya The Journal of Physical Chemistry Letters, Vol. 7, Issue 14 https://doi.org/10.1021/acs.jpclett.6b01047	journal	June 2016
Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi Chemistry of Materials, Vol. 28, Issue 21 https://doi.org/10.1021/acs.chemmater.6b03054	journal	October 2016
Lead and HTM Free Stable Two-Dimensional Tin Perovskites with Suitable Band Gap for Solar Cell Applications Zimmermann, Iwan; Aghazada, Sadig; Nazeeruddin, Mohammad Khaja Angewandte Chemie International Edition, Vol. 58, Issue 4 https://doi.org/10.1002/anie.201811497	journal	December 2018
Quasi-Fermi level splitting and sub-bandgap absorptivity from semiconductor photoluminescence Katahara, John K.; Hillhouse, Hugh W. Journal of Applied Physics, Vol. 116, Issue 17 https://doi.org/10.1063/1.4898346	journal	November 2014
Photoluminescence and Photoconductivity to Assess Maximum Open-Circuit Voltage and Carrier Transport in Hybrid Perovskites and Other Photovoltaic Materials Braly, Ian L.; Stoddard, Ryan J.; Rajagopal, Adharsh The Journal of Physical Chemistry Letters, Vol. 9, Issue 13 https://doi.org/10.1021/acs.jpclett.8b01152	journal	June 2018
Highly Efficient Perovskite-Perovskite Tandem Solar Cells Reaching 80% of the Theoretical Limit in Photovoltage Rajagopal, Adharsh; Yang, Zhibin; Jo, Sae Byeok Advanced Materials, Vol. 29, Issue 34 https://doi.org/10.1002/adma.201702140	journal	July 2017
Composition and Interface Engineering for Efficient and Thermally Stable Pb-Sn Mixed Low-Bandgap Perovskite Solar Cells Chi, Dan; Huang, Shihua; Zhang, Meiying Advanced Functional Materials, Vol. 28, Issue 51 https://doi.org/10.1002/adfm.201804603	journal	October 2018
Homogenous Alloys of Formamidinium Lead Triiodide and Cesium Tin Triiodide for Efficient Ideal-Bandgap Perovskite Solar Cells Zong, Yingxia; Wang, Ning; Zhang, Lin Angewandte Chemie International Edition, Vol. 56, Issue 41 https://doi.org/10.1002/anie.201705965	journal	July 2017
Toward Long-Term Stability: Single-Crystal Alloys of Cesium-Containing Mixed Cation and Mixed Halide Perovskite Chen, Liang; Tan, Yan-Yan; Chen, Zhi-Xin Journal of the American Chemical Society, Vol. 141, Issue 4 https://doi.org/10.1021/jacs.8b11610	journal	December 2018
Defect Passivation via a Graded Fullerene Heterojunction in Low-Bandgap Pb–Sn Binary Perovskite Photovoltaics Rajagopal, Adharsh; Liang, Po-Wei; Chueh, Chu-Chen ACS Energy Letters, Vol. 2, Issue 11 https://doi.org/10.1021/acsenergylett.7b00847	journal	October 2017

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