Synthesis, Crystal Structure, and Physical Properties of BaSnS2

Gunatilleke, Wilarachchige B.; May, Andrew F.; Walker, Angela R. Hight; Biacchi, Adam J.; Nolas, George S.

doi:10.1002/pssr.202100624

Synthesis, Crystal Structure, and Physical Properties of BaSnS₂

Journal Article · 11 February 2022 · Physica Status Solidi. Rapid Research Letters

DOI:https://doi.org/10.1002/pssr.202100624· OSTI ID:1847502

Gunatilleke, Wilarachchige B. ^[1]; ^[2]; ^[3]; ^[4]; ^[1]

Univ. of South Florida, Tampa, FL (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Nanoscale Device Characterization Division National Institute of Standards and Technology (NIST) Gaithersburg MD 20899 USA

Phase-pure BaSnS₂, with space group P2₁/c, is synthesized, and the structural and physical properties are investigated. We report thermal properties and optical measurements are reported for the first time. The Debye temperature and Sommerfeld coefficient are obtained from temperature-dependent heat capacity measurements, the latter indicating that BaSnS₂ is an electrical insulator. A direct bandgap of 2.4 eV is obtained from diffuse reflectance and photoluminescence spectroscopy. The findings herein lay the foundation for understanding the physical properties of this material and are part of a continuing effort to investigate previously unexplored ternary chalcogenides.

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

DOE Contract Number:: AC05-00OR22725; DMR-1748188

OSTI ID:: 1847502

Journal Information:: Physica Status Solidi. Rapid Research Letters, Vol. 16, Issue 5; ISSN 1862-6254

Publisher:: Wiley

Country of Publication:: United States

Language:: English

References (46)

Nanostructured metal chalcogenides: synthesis, modification, and applications in energy conversion and storage devices Gao, Min-Rui; Xu, Yun-Fei; Jiang, Jun Chemical Society Reviews, Vol. 42, Issue 7 https://doi.org/10.1039/c2cs35310e	journal	January 2013
Syntheses, Characterization, and Optical Properties of Ternary Ba–Sn–S System Compounds: Acentric Ba ₇ Sn ₅ S ₁₅ , Centric BaSn ₂ S ₅ , and Centric Ba ₆ Sn ₇ S ₂₀ Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan Inorganic Chemistry, Vol. 52, Issue 1 https://doi.org/10.1021/ic301804n	journal	December 2012
A variant of the NaCl structure type: BaSnS ₂ Iglesias, J. E.; Steinfink, H. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 7 https://doi.org/10.1107/S0567740873004760	journal	July 1973
General method of synthesis ultrathin ternary metal chalcogenide nanowires for potential thermoelectric applications Zhou, Chongjian; Dun, Chaochao; Wang, Ke Nano Energy, Vol. 30 https://doi.org/10.1016/j.nanoen.2016.10.043	journal	December 2016
Ternary Chalcogenides GeSb ₂ Se ₃ and Ge ₃ Sb ₄ Se ₇ Containing a _∞ ¹ [Sb ₂ Se ₂ ] ^2– 1D Chain and a 2D Structure Related to SnSe Chen, Guan-Ruei; Li, Chien-He; Yu, Ching-Yi Inorganic Chemistry, Vol. 59, Issue 16 https://doi.org/10.1021/acs.inorgchem.0c00515	journal	July 2020
Thermoelectric Enhancement of Different Kinds of Metal Chalcogenides Han, Chao; Sun, Qiao; Li, Zhen Advanced Energy Materials, Vol. 6, Issue 15 https://doi.org/10.1002/aenm.201600498	journal	June 2016
Polaronic transport in Ag-based quaternary chalcogenides Wei, Kaya; Khabibullin, Artem R.; Stedman, Troy Journal of Applied Physics, Vol. 122, Issue 10 https://doi.org/10.1063/1.5001690	journal	September 2017
Correction of intensities for preferred orientation in powder diffractometry: application of the March model Dollase, W. A. Journal of Applied Crystallography, Vol. 19, Issue 4 https://doi.org/10.1107/S0021889886089458	journal	August 1986
How To Correctly Determine the Band Gap Energy of Modified Semiconductor Photocatalysts Based on UV–Vis Spectra Makuła, Patrycja; Pacia, Michał; Macyk, Wojciech The Journal of Physical Chemistry Letters, Vol. 9, Issue 23 https://doi.org/10.1021/acs.jpclett.8b02892	journal	December 2018
A hole-conductor-free, fully printable mesoscopic perovskite solar cell with high stability Mei, A.; Li, X.; Liu, L. Science, Vol. 345, Issue 6194, p. 295-298 https://doi.org/10.1126/science.1254763	journal	July 2014
Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan Journal of Solid State Chemistry, Vol. 242 https://doi.org/10.1016/j.jssc.2016.03.038	journal	October 2016
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
Bournonite PbCuSbS ₃ : Stereochemically Active Lone-Pair Electrons that Induce Low Thermal Conductivity Dong, Yongkwan; Khabibullin, Artem R.; Wei, Kaya ChemPhysChem, Vol. 16, Issue 15 https://doi.org/10.1002/cphc.201500476	journal	August 2015
Layered quaternary chalcogenides KMgCuSe2 and KMgCuTe2 with paramagnetic semiconducting behavior Guo, Zhongnan; Liu, Zhao; Deng, Jun Journal of Alloys and Compounds, Vol. 883 https://doi.org/10.1016/j.jallcom.2021.160820	journal	November 2021
Organometal Perovskite Light Absorbers Toward a 20% Efficiency Low-Cost Solid-State Mesoscopic Solar Cell Park, Nam-Gyu The Journal of Physical Chemistry Letters, Vol. 4, Issue 15, p. 2423-2429 https://doi.org/10.1021/jz400892a	journal	July 2013
Optical and photoelectric spectroscopy of photorefractive Sn ₂ P ₂ S ₆ crystals Gamernyk, R. V.; Gnatenko, Yu P.; Bukivskij, P. M. Journal of Physics: Condensed Matter, Vol. 18, Issue 23 https://doi.org/10.1088/0953-8984/18/23/006	journal	May 2006
Electronic structure properties of CuZn ₂ InTe ₄ and AgZn ₂ InTe ₄ quaternary chalcogenides Shi, Wencong; Khabibullin, Artem R.; Hobbis, Dean Journal of Applied Physics, Vol. 125, Issue 15 https://doi.org/10.1063/1.5094628	journal	April 2019
Interface engineering of highly efficient perovskite solar cells Zhou, H.; Chen, Q.; Li, G. Science, Vol. 345, Issue 6196 https://doi.org/10.1126/science.1254050	journal	July 2014
Review of Recent Progress in Antimony Chalcogenide‐Based Solar Cells: Materials and Devices Lei, Hongwei; Chen, Jianjun; Tan, Zuojun Solar RRL, Vol. 3, Issue 6 https://doi.org/10.1002/solr.201900026	journal	March 2019
Compositional Effects and Electron Lone-pair Distortions in Doped Bournonites Khabibullin, Artem R.; Wei, Kaya; Huan, Tran D. ChemPhysChem, Vol. 19, Issue 20 https://doi.org/10.1002/cphc.201800613	journal	August 2018
Energetic I–III–VI ₂ and I ₂ –II–IV–VI ₄ nanocrystals: synthesis, photovoltaic and thermoelectric applications Fan, Feng-Jia; Wu, Liang; Yu, Shu-Hong Energy Environ. Sci., Vol. 7, Issue 1 https://doi.org/10.1039/C3EE41437J	journal	January 2014
Off-stoichiometric semiconductors Cu1.33+xZn1.33-xIn1.33Se4 (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties Nolas, George S.; Poddig, Hagen; Shi, Wencong Journal of Solid State Chemistry, Vol. 297 https://doi.org/10.1016/j.jssc.2021.122058	journal	May 2021
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Theoretical Prediction and Experimental Confirmation of Unusual Ternary Ordered Semiconductor Compounds in Sr–Pb–S System Hao, Shiqiang; Zhao, Li-Dong; Chen, Chang-Qiang Journal of the American Chemical Society, Vol. 136, Issue 4 https://doi.org/10.1021/ja411857y	journal	January 2014
Cu ₂ ZnGeSe ₄ Nanocrystals: Synthesis and Thermoelectric Properties Ibáñez, Maria; Zamani, Reza; LaLonde, Aaron Journal of the American Chemical Society, Vol. 134, Issue 9 https://doi.org/10.1021/ja211952z	journal	February 2012
CuSbSe ₂ as a Potential Photovoltaic Absorber Material: Studies from Theory to Experiment Xue, Ding-Jiang; Yang, Bo; Yuan, Zhen-Kun Advanced Energy Materials, Vol. 5, Issue 23 https://doi.org/10.1002/aenm.201501203	journal	October 2015
Synthesis, Crystal Structure, and High Temperature Transport Properties of p -Type Cu ₂ Zn _{1– x} Fe _x SnSe ₄ Dong, Yongkwan; Wang, Hsin; Nolas, George S. Inorganic Chemistry, Vol. 52, Issue 24 https://doi.org/10.1021/ic402455x	journal	November 2013
Wide Band Gap Chalcogenide Semiconductors Woods-Robinson, Rachel; Han, Yanbing; Zhang, Hanyu Chemical Reviews, Vol. 120, Issue 9 https://doi.org/10.1021/acs.chemrev.9b00600	journal	April 2020
Theoretical model for predicting thermoelectric properties of tin chalcogenides Gupta, Raveena; Kumar, Naveen; Kaur, Prabhjot Physical Chemistry Chemical Physics, Vol. 22, Issue 34 https://doi.org/10.1039/D0CP03117H	journal	January 2020
Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials Chung, In; Kanatzidis, Mercouri G. Chemistry of Materials, Vol. 26, Issue 1 https://doi.org/10.1021/cm401737s	journal	August 2013
Recent Developments in Bulk Thermoelectric Materials Nolas, George S.; Poon, Joe; Kanatzidis, Mercouri MRS Bulletin, Vol. 31, Issue 3 https://doi.org/10.1557/mrs2006.45	journal	March 2006
New Light on an Old Story: Perovskites Go Solar Lotsch, Bettina V. Angewandte Chemie International Edition, Vol. 53, Issue 3 https://doi.org/10.1002/anie.201309368	journal	December 2013
Prediction of ternary alkaline-earth metal Sn(II) and Pb(II) chalcogenide semiconductors Li, Yuwei; Wang, Li; Qiao, Yuancun Physical Review Materials, Vol. 4, Issue 5 https://doi.org/10.1103/PhysRevMaterials.4.055004	journal	May 2020
Thermal Properties of the Very Low Thermal Conductivity Ternary Chalcogenide Cu ₄ Bi ₄ M ₉ (M = S, Se) Hobbis, Dean; Wang, Hsin; Martin, Joshua physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 8 https://doi.org/10.1002/pssr.202000166	journal	May 2020
Synthesis and Characterization of Nanostructured Stannite Cu₂ZnSnSe₄ and Ag₂ZnSnSe₄ for Thermoelectric Applications Wei, Kaya; Nolas, George S. ACS Applied Materials & Interfaces, Vol. 7, Issue 18, p. 9752-9757 https://doi.org/10.1021/acsami.5b01617	journal	April 2015
Ternary and quaternary metal chalcogenide nanocrystals: synthesis, properties and applications Aldakov, Dmitry; Lefrançois, Aurélie; Reiss, Peter Journal of Materials Chemistry C, Vol. 1, Issue 24 https://doi.org/10.1039/c3tc30273c	journal	January 2013
Lead-free solid-state organic–inorganic halide perovskite solar cells Hao, Feng; Stoumpos, Constantinos C.; Cao, Duyen Hanh Nature Photonics, Vol. 8, Issue 6 https://doi.org/10.1038/nphoton.2014.82	journal	May 2014
Comparison of Texture Analysis Techniques for Highly Oriented α-Al2O3 Seabaugh, Matthew M.; Vaudin, Mark D.; Cline, James P. Journal of the American Ceramic Society, Vol. 83, Issue 8 https://doi.org/10.1111/j.1151-2916.2000.tb01510.x	journal	August 2000
Synthesis and thermoelectric properties of Cu excess Cu ₂ ZnSnSe ₄ : Synthesis and thermoelectric properties of Cu excess Cu Dong, Yongkwan; Wang, Hsin; Nolas, George S. physica status solidi (RRL) - Rapid Research Letters, Vol. 8, Issue 1 https://doi.org/10.1002/pssr.201308274	journal	November 2013
From Bonding Asymmetry to Anharmonic Rattling in Cu ₁₂ Sb ₄ S ₁₃ Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely Lai, Wei; Wang, Yuxing; Morelli, Donald T. Advanced Functional Materials, Vol. 25, Issue 24 https://doi.org/10.1002/adfm.201500766	journal	May 2015
Lone pair electrons minimize lattice thermal conductivity Nielsen, Michele D.; Ozolins, Vidvuds; Heremans, Joseph P. Energy Environ. Sci., Vol. 6, Issue 2 https://doi.org/10.1039/C2EE23391F	journal	January 2013
High-efficiency solution-processed perovskite solar cells with millimeter-scale grains Nie, W.; Tsai, H.; Asadpour, R. Science, Vol. 347, Issue 6221, p. 522-525 https://doi.org/10.1126/science.aaa0472	journal	January 2015
Etude du système SnS–BaS: structure de BaSn ₂ S ₃ Del Bucchia, S.; Jumas, J. C.; Maurin, M. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 36, Issue 12 https://doi.org/10.1107/S0567740880010564	journal	December 1980
Ba 5 Cu 8 In 2 S 12 : a quaternary semiconductor with a unique 3D copper-rich framework and ultralow thermal conductivity Lin, Hua; Chen, Hong; Zheng, Yu-Jun Chemical Communications, Vol. 53, Issue 17 https://doi.org/10.1039/C6CC09904A	journal	January 2017
Influence of a Nano Phase Segregation on the Thermoelectric Properties of the p-Type Doped Stannite Compound Cu _{2+ x} Zn _{1– x} GeSe ₄ Zeier, Wolfgang G.; LaLonde, Aaron; Gibbs, Zachary M. Journal of the American Chemical Society, Vol. 134, Issue 16 https://doi.org/10.1021/ja301452j	journal	April 2012
Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells Snaith, Henry J. The Journal of Physical Chemistry Letters, Vol. 4, Issue 21, p. 3623-3630 https://doi.org/10.1021/jz4020162	journal	October 2013

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