Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors

Zhou, Xiuquan; Wilfong, Brandon; Chen, Xinglong; Laing, Craig; Pandey, Indra R.; Chen, Ying‐Pin; Chen, Yu‐Sheng; Chung, Duck‐Young; Kanatzidis, Mercouri G.

doi:10.1002/ange.202301191

Sr(Ag _{1− x} Li _x ) ₂ Se ₂ and [Sr ₃ Se ₂ ][(Ag _{1− x} Li _x ) ₂ Se ₂ ] Tunable Direct Band Gap Semiconductors

Journal Article · Thu Feb 23 04:00:00 EST 2023 · Angewandte Chemie

DOI:https://doi.org/10.1002/ange.202301191· OSTI ID:1958356

^[1]; Wilfong, Brandon ^[2]; Chen, Xinglong ^[1]; Laing, Craig ^[3]; Pandey, Indra R. ^[3]; Chen, Ying‐Pin ^[4]; Chen, Yu‐Sheng ^[4]; Chung, Duck‐Young ^[1]; ^[5]

Materials Science Division Argonne National Laboratory 9700 South Cass Avenue Lemont IL 60439 USA
United States Naval Academy 121 Blake Rd Annapolis MD 21402 USA
Department of Chemistry Northwestern University Evanston IL 60208 USA
NSF's ChemMatCARS the University of Chicago 9700 South Cass Avenue Argonne IL 60439 USA
Materials Science Division Argonne National Laboratory 9700 South Cass Avenue Lemont IL 60439 USA, Department of Chemistry Northwestern University Evanston IL 60208 USA

Abstract

Synthesizing solids in molten fluxes enables the rapid diffusion of soluble species at temperatures lower than in solid‐state reactions, leading to crystal formation of kinetically stable compounds. In this study, we demonstrate the effectiveness of mixed hydroxide and halide fluxes in synthesizing complex Sr/Ag/Se in mixed LiOH/LiCl. We have accessed a series of two‐dimensional Sr(Ag _{1− x} Li _x ) ₂ Se ₂ layered phases. With increased LiOH/LiCl ratio or reaction temperature, Li partially substituted Ag to form solid solutions of Sr(Ag _{1− x} Li _x ) ₂ Se ₂ with x up to 0.45. In addition, a new type of intergrowth compound [Sr ₃ Se ₂ ][(Ag _{1− x} Li _x ) ₂ Se ₂ ] was synthesized upon further reaction of Sr(Ag _{1− x} Li _x ) ₂ Se ₂ with SrSe. Both Sr(Ag _{1− x} Li _x ) ₂ Se ₂ and [Sr ₃ Se ₂ ][(Ag _{1− x} Li _x ) ₂ Se ₂ ] exhibit a direct band gap, which increases with increasing Li substitution ( x ). Therefore, the band gap of Sr(Ag _{1− x} Li _x ) ₂ Se ₂ can be precisely tuned via fine‐tuning x that is controlled by only the flux ratio and temperature.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1958356

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 14 Vol. 135; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (45)

Elektrochemische Synthese von Ba2Ag8S7, einem quasi-eindimensionalen Bariumsilber(I)-sulfid mit S2−- und S22−-Liganden Li, He; Hwu, Shiou-Jyh Angewandte Chemie, Vol. 111, Issue 20 https://doi.org/10.1002/(SICI)1521-3757(19991018)111:20<3253::AID-ANGE3253>3.0.CO;2-D	journal	October 1999
Electrochemical Synthesis of Ba2Ag8S7, a Quasi-One-Dimensional Barium Silver(I) Sulfide Containing Mixed S2−/S22− Ligands Li, He; Hwu, Shiou-Jyh Angewandte Chemie International Edition, Vol. 38, Issue 20 https://doi.org/10.1002/(SICI)1521-3773(19991018)38:20<3067::AID-ANIE3067>3.0.CO;2-B	journal	October 1999
Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles He, Jiangang; Xia, Yi; Lin, Wenwen Advanced Functional Materials https://doi.org/10.1002/adfm.202108532	journal	December 2021
Auf der Suche nach neuen Materialien: Kristallzucht von quaternären und höherwertigen Oxiden in Flussmitteln Bugaris, Daniel E.; zur Loye, Hans-Conrad Angewandte Chemie, Vol. 124, Issue 16 https://doi.org/10.1002/ange.201102676	journal	January 2012
Chalkogenide durch Reduktion ihrer Dioxide in ultra‐alkalischen Medien Albrecht, Ralf; Ruck, Michael Angewandte Chemie, Vol. 133, Issue 41 https://doi.org/10.1002/ange.202107642	journal	September 2021
Materials Discovery by Flux Crystal Growth: Quaternary and Higher Order Oxides Bugaris, Daniel E.; zur Loye, Hans-Conrad Angewandte Chemie International Edition, Vol. 51, Issue 16 https://doi.org/10.1002/anie.201102676	journal	January 2012
Chalcogenides by Reduction of their Dioxides in Ultra‐Alkaline Media Albrecht, Ralf; Ruck, Michael Angewandte Chemie International Edition, Vol. 60, Issue 41 https://doi.org/10.1002/anie.202107642	journal	September 2021
Reaktionen und Gleichgewichte in Alkalihydroxydschmelzen. III. Peroxydgleichgewichte Lux, Hermann; Kuhn, Rudolf; Niedermaier, Titus Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 298, Issue 5-6 https://doi.org/10.1002/zaac.19592980508	journal	January 1959
�ber die Darstellung von CaSe, SrSe, BaSe und EuSe durch Reaktion der Metalle mit Selenwasserstoff in fl�ssigem Ammoniak Petzel, T.; Kohle, J. Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 437, Issue 1 https://doi.org/10.1002/zaac.19774370127	journal	December 1977
BaAg2S2, ein Thioargentat im CaAl2Si2-Strukturtyp Bronger, W.; Lenders, B.; Huster, J. Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 623, Issue 9 https://doi.org/10.1002/zaac.19976230906	journal	September 1997
Synthesis and Structure of a New Ternary Silver-Rich Sulfide BaAg8S5 Check, Catherine E.; Zheng, Chong; Zhang, Jianhua Journal of Solid State Chemistry, Vol. 144, Issue 2 https://doi.org/10.1006/jssc.1999.8188	journal	May 1999
Materials discovery by crystal growth: Lanthanide metal containing oxides of the platinum group metals (Ru, Os, Ir, Rh, Pd, Pt) from molten alkali metal hydroxides Mugavero, Samuel J.; Gemmill, William R.; Roof, Irina P. Journal of Solid State Chemistry, Vol. 182, Issue 7 https://doi.org/10.1016/j.jssc.2009.05.006	journal	July 2009
First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure Khenata, R.; Baltache, H.; Rérat, M. Physica B: Condensed Matter, Vol. 339, Issue 4 https://doi.org/10.1016/j.physb.2003.07.003	journal	December 2003
Application of Wavelet Transforms to Experimental Spectra: Smoothing, Denoising, and Data Set Compression Barclay, V. J.; Bonner, R. F.; Hamilton, I. P. Analytical Chemistry, Vol. 69, Issue 1 https://doi.org/10.1021/ac960638m	journal	January 1997
Clusters, Assemble: Growth of Intermetallic Compounds from Metal Flux Reactions Latturner, Susan E. Accounts of Chemical Research, Vol. 51, Issue 1 https://doi.org/10.1021/acs.accounts.7b00483	journal	December 2017
Synthesis and Thermoelectric Properties of Noble Metal Ternary Chalcogenide Systems of Ag–Au–Se in the Forms of Alloyed Nanoparticles and Colloidal Nanoheterostructures Dalmases, Mariona; Ibáñez, Maria; Torruella, Pau Chemistry of Materials, Vol. 28, Issue 19 https://doi.org/10.1021/acs.chemmater.6b02845	journal	September 2016
Two-Dimensional CsAg ₅ Te _{3– x} S _x Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity Hodges, James M.; Xia, Yi; Malliakas, Christos D. Chemistry of Materials, Vol. 30, Issue 20 https://doi.org/10.1021/acs.chemmater.8b03306	journal	September 2018
The Benefit of Leaving Your Synthetic Comfort Zone: Reactions in Uncommon Media Chan, Julia Y.; Dehnen, Stefanie Inorganic Chemistry, Vol. 59, Issue 24 https://doi.org/10.1021/acs.inorgchem.0c03428	journal	December 2020
Stepwise Li Substitution Induced Structure Evolution and Improved Nonlinear Optical Performance for Diamond-like Sulfides Zhou, Wenfeng; Zhang, Qing; Yao, Wen-Dong Inorganic Chemistry, Vol. 60, Issue 16 https://doi.org/10.1021/acs.inorgchem.1c01793	journal	July 2021
Substitution of Li for Cu in Cu ₂ ZnSnS ₄ : Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells Lafond, A.; Guillot-Deudon, C.; Vidal, J. Inorganic Chemistry, Vol. 56, Issue 5 https://doi.org/10.1021/acs.inorgchem.6b02865	journal	February 2017
Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 56, Issue 6 https://doi.org/10.1021/acs.inorgchem.7b00188	journal	March 2017
Tunable Direct Band Gap of β-CuGaO₂ and β-LiGaO₂ Solid Solutions in the Full Visible Range Suzuki, Issei; Mizuno, Yuki; Omata, Takahisa Inorganic Chemistry, Vol. 58, Issue 7 https://doi.org/10.1021/acs.inorgchem.8b03370	journal	March 2019
Synthesis and Characterization of Ba₂Ag₂Se₂(Se₂) Jana, Subhendu; Ishtiyak, Mohd; Mesbah, Adel Inorganic Chemistry, Vol. 58, Issue 12 https://doi.org/10.1021/acs.inorgchem.9b00506	journal	June 2019
Targeted Crystal Growth of Rare Earth Intermetallics with Synergistic Magnetic and Electrical Properties: Structural Complexity to Simplicity Schmitt, Devin C.; Drake, Brenton L.; McCandless, Gregory T. Accounts of Chemical Research, Vol. 48, Issue 3 https://doi.org/10.1021/ar5003895	journal	February 2015
Molten alkali-metal polychalcogenides as reagents and solvents for the synthesis of new chalcogenide materials Kanatzidis, Mercouri G. Chemistry of Materials, Vol. 2, Issue 4 https://doi.org/10.1021/cm00010a009	journal	July 1990
Hydroflux Crystal Growth of Platinum Group Metal Hydroxides: Sr ₆ NaPd ₂ (OH) ₁₇ , Li ₂ Pt(OH) ₆ , Na ₂ Pt(OH) ₆ , Sr ₂ Pt(OH) ₈ , and Ba ₂ Pt(OH) ₈ Bugaris, Daniel E.; Smith, Mark D.; zur Loye, Hans-Conrad Inorganic Chemistry, Vol. 52, Issue 7 https://doi.org/10.1021/ic302439b	journal	June 2012
Crystal Growth of New Hexahydroxometallates Using a Hydroflux Chance, W. Michael; Bugaris, Daniel E.; Sefat, Athena S. Inorganic Chemistry, Vol. 52, Issue 20 https://doi.org/10.1021/ic400910g	journal	September 2013
Layered Oxysulfides Sr ₂ MnO ₂ Cu ₂ _m _- _0.5 S _m ₊₁ ( m = 1, 2, and 3) as Insertion Hosts for Li Ion Batteries Indris, Sylvio; Cabana, Jordi; Rutt, Oliver J. Journal of the American Chemical Society, Vol. 128, Issue 41 https://doi.org/10.1021/ja064961a	journal	September 2006
New Compounds and Phase Selection of Nickel Sulfides via Oxidation State Control in Molten Hydroxides Zhou, Xiuquan; Mandia, David J.; Park, Hyowon Journal of the American Chemical Society, Vol. 143, Issue 34 https://doi.org/10.1021/jacs.1c05107	journal	August 2021
Low Thermal Conductivity in Heteroanionic Materials with Layers of Homoleptic Polyhedra Zhang, Chi; He, Jiangang; McClain, Rebecca Journal of the American Chemical Society, Vol. 144, Issue 6 https://doi.org/10.1021/jacs.1c10284	journal	February 2022
Binary systems sodium sulfide-sodium hydroxide and sodium carbonate-sodium hydroxide Chiotti, Premo; Markuszewski, Richard Journal of Chemical & Engineering Data, Vol. 30, Issue 2 https://doi.org/10.1021/je00040a020	journal	April 1985
Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity Pal, Koushik; Xia, Yi; Shen, Jiahong npj Computational Materials, Vol. 7, Issue 1 https://doi.org/10.1038/s41524-021-00549-x	journal	June 2021
A two-dimensional type I superionic conductor Rettie, Alexander J. E.; Ding, Jingxuan; Zhou, Xiuquan Nature Materials, Vol. 20, Issue 12 https://doi.org/10.1038/s41563-021-01053-9	journal	July 2021
Direct thermal neutron detection by the 2D semiconductor 6LiInP2Se6 Chica, Daniel G.; He, Yihui; McCall, Kyle M. Nature, Vol. 577, Issue 7790 https://doi.org/10.1038/s41586-019-1886-8	journal	January 2020
Discovery of chalcogenides structures and compositions using mixed fluxes Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian Nature, Vol. 612, Issue 7938 https://doi.org/10.1038/s41586-022-05307-7	journal	November 2022
Coherent approach to two-dimensional heterolayered oxychalcogenides using molten hydroxides Zhou, Xiuquan; Malliakas, Christos D.; Yakovenko, Andrey A. Nature Synthesis, Vol. 1, Issue 9 https://doi.org/10.1038/s44160-022-00130-4	journal	August 2022
Ternary and quaternary chalcogenides of Group IB elements Starodub, Vladimir A. Russian Chemical Reviews, Vol. 68, Issue 10 https://doi.org/10.1070/RC1999v068n10ABEH000480	journal	October 1999
Growth of single crystals from metallic fluxes Canfield, P. C.; Fisk, Z. Philosophical Magazine B, Vol. 65, Issue 6 https://doi.org/10.1080/13642819208215073	journal	June 1992
New materials physics Canfield, Paul C. Reports on Progress in Physics, Vol. 83, Issue 1 https://doi.org/10.1088/1361-6633/ab514b	journal	November 2019
Vegard’s law Denton, A. R.; Ashcroft, N. W. Physical Review A, Vol. 43, Issue 6 https://doi.org/10.1103/PhysRevA.43.3161	journal	March 1991
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Turning Down the Heat: Design and Mechanism in Solid-State Synthesis Stein, A.; Keller, S. W.; Mallouk, T. E. Science, Vol. 259, Issue 5101 https://doi.org/10.1126/science.259.5101.1558	journal	March 1993
Hydroflux syntheses and crystal structures of hydrogarnets Ba₃[RE(OH)₆]₂ (RE = Sc, Y, Ho–Lu) Albrecht, Ralf; Graßme, Florian; Doert, Thomas Zeitschrift für Naturforschung B, Vol. 75, Issue 11 https://doi.org/10.1515/znb-2020-0147	journal	October 2020
Flux Growth of Phosphide and Arsenide Crystals Wang, Jian; Yox, Philip; Kovnir, Kirill Frontiers in Chemistry, Vol. 8 https://doi.org/10.3389/fchem.2020.00186	journal	April 2020
The Acidic and Basic Properties of Oxides. Flood, H.; Förland, T.; Sillén, Lars Gunnar Acta Chemica Scandinavica, Vol. 1 https://doi.org/10.3891/acta.chem.scand.01-0592	journal	January 1947

Similar Records

Sr(Ag_1-xLi_x)₂Se₂ and [Sr₃Se₂][(Ag_1-xLi_x)₂Se₂] Tunable Direct Band Gap Semiconductors

Journal Article · Thu Jan 26 23:00:00 EST 2023 · Angewandte Chemie (International Edition) · OSTI ID:1969738

Sol-gel synthesis, structural and superconducting properties of (Hg{sub 1-y}Se{sub y})Sr{sub 2}(Y{sub 1-x}Ca{sub x})Cu{sub 2}O{sub 6+{delta}}

Journal Article · Fri Nov 14 23:00:00 EST 2008 · Journal of Solid State Chemistry · OSTI ID:21212114

Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors

Citation Formats

References (45)

Similar Records

Related Subjects

Sr(Ag _{1− x} Li _x ) ₂ Se ₂ and [Sr ₃ Se ₂ ][(Ag _{1− x} Li _x ) ₂ Se ₂ ] Tunable Direct Band Gap Semiconductors