Thin-Film Paradigm to Probe Interfacial Diffusion during Solid-State Metathesis Reactions

McAuliffe, Rebecca D.; Huang, Guanglong; Montiel, David; Mehta, Apurva; Davis, Ryan C.; Petrova, Victoria; Browning, Katie L.; Neilson, James R.; Liu, Ping; Thornton, Katsuyo; Veith, Gabriel M.

doi:10.1021/acs.chemmater.2c00303

Title: Thin-Film Paradigm to Probe Interfacial Diffusion during Solid-State Metathesis Reactions

Journal Article · Fri Jul 01 00:00:00 EDT 2022 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.2c00303· OSTI ID:1883974

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Michigan, Ann Arbor, MI (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Univ. of California-San Diego, La Jolla, CA (United States)
Colorado State Univ., Fort Collins, CO (United States)

We highlight a paradigm for studying complex reaction mechanisms that guide the synthesis of materials. Thin films of FeCl₂ and Na₂S₂ were deposited to study the metathesis reaction to form FeS₂ and NaCl. In situ X-ray reflectivity was used to monitor the interface between materials, which revealed a slow, impeded reaction at high temperatures as compared to previous studies using powder samples. AC impedance and X-ray photoelectron spectroscopy provided insight into distribution of elements and conductivity of the phases present during the reaction, and phase-field modeling was used to elucidate the diffusion of ions throughout the thin-film bilayers. Here, the use of thin-film bilayers provides a simplified system to study solid-state metathesis reactions and highlights the complexity of diffusion at solid-state interfaces.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; SC0019212; AC02-76SF00515; ECCS-1542148

OSTI ID:: 1883974

Journal Information:: Chemistry of Materials, Vol. 34, Issue 14; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (51)

Understanding the Reactions Between Fe and Se Binary Diffusion Couples Bardgett, Dylan; Gannon, Renae N.; Hamann, Danielle M. Chemistry of Materials, Vol. 33, Issue 7 https://doi.org/10.1021/acs.chemmater.1c00303	journal	March 2021
Circumventing Diffusion in Kinetically Controlled Solid-State Metathesis Reactions Martinolich, Andrew J.; Kurzman, Joshua A.; Neilson, James R. Journal of the American Chemical Society, Vol. 138, Issue 34 https://doi.org/10.1021/jacs.6b06367	journal	August 2016
Thermodynamic calculation of self-diffusion in sodium chloride Zhang, Baohua; Li, Chengbo; Shan, Shuangming Physics and Chemistry of Minerals, Vol. 43, Issue 5 https://doi.org/10.1007/s00269-016-0801-1	journal	February 2016
Investigating the Formation of MoSe ₂ and TiSe ₂ Films from Artificially Layered Precursors Miller, Aaron M.; Hamann, Danielle M.; Hadland, Erik C. Inorganic Chemistry, Vol. 59, Issue 17 https://doi.org/10.1021/acs.inorgchem.0c01626	journal	August 2020
Progress toward Solid State Synthesis by Design Chamorro, Juan R.; McQueen, Tyrel M. Accounts of Chemical Research, Vol. 51, Issue 11 https://doi.org/10.1021/acs.accounts.8b00382	journal	October 2018
Pyrite Formation via Kinetic Intermediates through Low-Temperature Solid-State Metathesis Martinolich, Andrew J.; Neilson, James R. Journal of the American Chemical Society, Vol. 136, Issue 44 https://doi.org/10.1021/ja5081647	journal	October 2014
Observing and Modeling the Sequential Pairwise Reactions that Drive Solid‐State Ceramic Synthesis Miura, Akira; Bartel, Christopher J.; Goto, Yosuke Advanced Materials https://doi.org/10.1002/adma.202100312	journal	May 2021
Experimental and theoretical investigation of the new, metastable compound Cr₃Sb Regus, Matthias; Kuhn, Gerhard; Polesya, Svitlana Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 7 https://doi.org/10.1515/zkri-2014-1744	journal	June 2014
Synthesis of Metastable Inorganic Solids with Extended Structures Cordova, Dmitri Leo M.; Johnson, David C. ChemPhysChem, Vol. 21, Issue 13 https://doi.org/10.1002/cphc.202000199	journal	June 2020
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
Avoiding Binary Compounds as Reaction Intermediates in Solid State Reactions Anderson, Michael D.; Thompson, John O.; Johnson, David C. Chemistry of Materials, Vol. 25, Issue 20 https://doi.org/10.1021/cm4019259	journal	September 2013
Materials Synthesis Via Solid-State Metathesis Reactions Treece, Randolph E.; Gillan, Edward G.; Kaner, Richard B. Comments on Inorganic Chemistry, Vol. 16, Issue 6 https://doi.org/10.1080/02603599508035775	journal	January 1995
A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis McDermott, Matthew J.; Dwaraknath, Shyam S.; Persson, Kristin A. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23339-x	journal	May 2021
Formation of ultrathin cobalt ferrite films by interdiffusion of ${Fe}_{3} O_{4} / CoO$ bilayers Rodewald, J.; Thien, J.; Pohlmann, T. Physical Review B, Vol. 100, Issue 15 https://doi.org/10.1103/physrevb.100.155418	journal	October 2019
Investigation of multiplet splitting of Fe 2p XPS spectra and bonding in iron compounds Grosvenor, A. P.; Kobe, B. A.; Biesinger, M. C. Surface and Interface Analysis, Vol. 36, Issue 12 https://doi.org/10.1002/sia.1984	journal	January 2004
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO ₃ Polymorphs Todd, Paul K.; Wustrow, Allison; McAuliffe, Rebecca D. Inorganic Chemistry, Vol. 59, Issue 18 https://doi.org/10.1021/acs.inorgchem.0c02023	journal	August 2020
Temperature-Dependent Solid-State Reactions With and Without Kirkendall Effect in Al2O3/ZnO, Fe2O3/ZnO, and CoXOY/ZnO Oxide Thin Film Systems Zolotaryov, Andriy; Goetze, Silvana; Zierold, Robert Advanced Engineering Materials, Vol. 12, Issue 6 https://doi.org/10.1002/adem.201000043	journal	May 2010
Selective Formation of Yttrium Manganese Oxides through Kinetically Competent Assisted Metathesis Reactions Todd, Paul K.; Neilson, James R. Journal of the American Chemical Society, Vol. 141, Issue 3 https://doi.org/10.1021/jacs.8b10123	journal	January 2019
Calorimetric Study of Amorphization in Planar, Binary, Multilayer, Thin-Film Diffusion Couples of Ni and Zr Cotts, E. J.; Meng, W. J.; Johnson, W. L. Physical Review Letters, Vol. 57, Issue 18 https://doi.org/10.1103/physrevlett.57.2295	journal	November 1986
Characterization of Cr-rich Cr-Sb multilayer films: Syntheses of a new metastable phase using modulated elemental reactants Regus, Matthias; Mankovsky, Sergiy; Polesya, Svitlana Journal of Solid State Chemistry, Vol. 230 https://doi.org/10.1016/j.jssc.2015.06.038	journal	October 2015
Synthesis and Thermal Properties of Solid-State Structural Isomers: Ordered Intergrowths of SnSe and MoSe ₂ Gunning, Noel S.; Feser, Joseph; Beekman, Matt Journal of the American Chemical Society, Vol. 137, Issue 27 https://doi.org/10.1021/jacs.5b04351	journal	June 2015
Discovery of High-Performance Thermoelectric Chalcogenides through Reliable High-Throughput Material Screening Xi, Lili; Pan, Shanshan; Li, Xin Journal of the American Chemical Society, Vol. 140, Issue 34 https://doi.org/10.1021/jacs.8b04704	journal	July 2018
Self‐Diffusion of Sodium in Sodium Chloride and Sodium Bromide Mapother, Dillon; Crooks, H. Nelson; Maurer, Robert The Journal of Chemical Physics, Vol. 18, Issue 9 https://doi.org/10.1063/1.1747916	journal	September 1950
Accelerating the Discovery of Cu–Sn–S Thermoelectric Compounds via High-Throughput Synthesis, Characterization, and Machine Learning-Assisted Image Analysis Sheng, Ye; Deng, Tingting; Qiu, Pengfei Chemistry of Materials, Vol. 33, Issue 17 https://doi.org/10.1021/acs.chemmater.1c01856	journal	August 2021
Machine learning modeling of superconducting critical temperature Stanev, Valentin; Oses, Corey; Kusne, A. Gilad npj Computational Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41524-018-0085-8	journal	June 2018
Synthesis of metal chloride films: Influence of growth conditions on crystallinity McAuliffe, Rebecca D.; Yang, Guang; Nanda, Jagjit Thin Solid Films, Vol. 689 https://doi.org/10.1016/j.tsf.2019.137520	journal	November 2019
Following the Kinetics of a Chemical Reaction in Ultrathin Supported Polymer Films by Reliable Mass Density Determination with X-ray Reflectivity Kontturi, Eero; Lankinen, Aapo Journal of the American Chemical Society, Vol. 132, Issue 11 https://doi.org/10.1021/ja100669w	journal	February 2010
On spinodal decomposition Cahn, John W. Acta Metallurgica, Vol. 9, Issue 9 https://doi.org/10.1016/0001-6160(61)90182-1	journal	September 1961
Ultralow shear modulus of incommensurate ${[SnSe]}_{n} {[{MoSe}_{2}]}_{n}$ layers synthesized by the method of modulated elemental reactants Li, Dongyao; Schleife, André; Cahill, David G. Physical Review Materials, Vol. 3, Issue 4 https://doi.org/10.1103/physrevmaterials.3.043607	journal	April 2019
Synthesis of model sodium sulfide films McAuliffe, Rebecca D.; Petrova, Victoria; McDermott, Matthew J. Journal of Vacuum Science & Technology A, Vol. 39, Issue 5 https://doi.org/10.1116/6.0001069	journal	September 2021
Designed Synthesis of Families of Misfit‐Layered Compounds Lin, Qiyin; Heideman, Colby L.; Nguyen, Ngoc European Journal of Inorganic Chemistry, Vol. 2008, Issue 15 https://doi.org/10.1002/ejic.200800158	journal	May 2008
Interdiffusion in Fe/Pt Multilayers: In Situ High Temperature Synchrotron Radiation Reflectivity Study Zotov, Nikolay; Feydt, Jürgen; Savan, Alan Advanced Engineering Materials, Vol. 13, Issue 6 https://doi.org/10.1002/adem.201000358	journal	March 2011
Self-Diffusion of the Chloride Ion in Sodium Chloride Laurance, Neal Physical Review, Vol. 120, Issue 1 https://doi.org/10.1103/physrev.120.57	journal	October 1960
Controlled synthesis of new compounds using modulated elemental reactants Johnson, David C. Current Opinion in Solid State and Materials Science, Vol. 3, Issue 2 https://doi.org/10.1016/s1359-0286(98)80082-x	journal	April 1998
Chloride ion diffusion in sodium chloride. Interactions between point imperfections at low temperatures Harrison, L. G.; Morrison, J. A.; Rudham, R. Transactions of the Faraday Society, Vol. 54 https://doi.org/10.1039/tf9585400106	journal	January 1958
The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides Bianchini, Matteo; Wang, Jingyang; Clément, Raphaële J. Nature Materials, Vol. 19, Issue 10 https://doi.org/10.1038/s41563-020-0688-6	journal	May 2020
Structural Evolution of Iron Antimonides from Amorphous Precursors to Crystalline Products Studied by Total Scattering Techniques Bauers, Sage R.; Wood, Suzannah R.; Jensen, Kirsten M. Ø. Journal of the American Chemical Society, Vol. 137, Issue 30 https://doi.org/10.1021/jacs.5b04838	journal	July 2015
Machine learning for materials discovery: Two-dimensional topological insulators Schleder, Gabriel R.; Focassio, Bruno; Fazzio, Adalberto Applied Physics Reviews, Vol. 8, Issue 3 https://doi.org/10.1063/5.0055035	journal	September 2021
Substituent Effects in the Synthesis of Heterostructures Choffel, Marisa A.; Kam, Taryn Mieko; Johnson, David C. Inorganic Chemistry, Vol. 60, Issue 13 https://doi.org/10.1021/acs.inorgchem.1c00811	journal	June 2021
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space Todd, Paul K.; McDermott, Matthew J.; Rom, Christopher L. Journal of the American Chemical Society, Vol. 143, Issue 37 https://doi.org/10.1021/jacs.1c06229	journal	September 2021
Influence of nanocrystal growth kinetics on interface roughness in nickel–aluminum multilayers Aurongzeb, D.; Holtz, M.; Daugherty, M. Applied Physics Letters, Vol. 83, Issue 26 https://doi.org/10.1063/1.1637155	journal	December 2003
Solid-state metathesis as a quick route to transition-metal mixed dichalcogenides Bonneau, Philippe R.; Jarvis, Robert F.; Kaner, Richard B. Inorganic Chemistry, Vol. 31, Issue 11 https://doi.org/10.1021/ic00037a027	journal	May 1992
GenX : an extensible X-ray reflectivity refinement program utilizing differential evolution Björck, Matts; Andersson, Gabriella Journal of Applied Crystallography, Vol. 40, Issue 6 https://doi.org/10.1107/s0021889807045086	journal	November 2007
X-ray photoelectron spectroscopy studies of the sodium chloride surface after laser exposure Savintsev, A. P.; Gavasheli, Yu O.; Kalazhokov, Z. Kh Journal of Physics: Conference Series, Vol. 774 https://doi.org/10.1088/1742-6596/774/1/012118	journal	November 2016
Computational and experimental investigation for new transition metal selenides and sulfides: The importance of experimental verification for stability Narayan, Awadhesh; Bhutani, Ankita; Rubeck, Samantha Physical Review B, Vol. 94, Issue 4 https://doi.org/10.1103/physrevb.94.045105	journal	July 2016
Rational Solid-State Synthesis Routes for Inorganic Materials Aykol, Muratahan; Montoya, Joseph H.; Hummelshøj, Jens Journal of the American Chemical Society, Vol. 143, Issue 24 https://doi.org/10.1021/jacs.1c04888	journal	June 2021
Rapid solid-state synthesis of materials from molybdenum disulphide to refractories Bonneau, Philippe R.; Jarvis, Robert F.; Kaner, Richard B. Nature, Vol. 349, Issue 6309 https://doi.org/10.1038/349510a0	journal	February 1991
Kinetics of alloy formation at the interfaces in a Ni-Ti multilayer: X-ray and neutron reflectometry study Singh, Surendra; Basu, Saibal; Bhatt, Pramod Physical Review B, Vol. 79, Issue 19 https://doi.org/10.1103/physrevb.79.195435	journal	May 2009
Exploiting XPS for the identification of sulfides and polysulfides Fantauzzi, Marzia; Elsener, Bernhard; Atzei, Davide RSC Advances, Vol. 5, Issue 93 https://doi.org/10.1039/c5ra14915k	journal	January 2015
Structure and interdiffusion of epitaxial ZnO∕ZnMgO nanolayered thin films Stevens, B. L.; Cohen, D. J.; Barnett, S. A. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 26, Issue 6 https://doi.org/10.1116/1.2993257	journal	November 2008
X-ray reflectivity measurement of interdiffusion in metallic multilayers during rapid heating Liu, J. P.; Kirchhoff, J.; Zhou, L. Journal of Synchrotron Radiation, Vol. 24, Issue 4 https://doi.org/10.1107/S1600577517008013	journal	June 2017

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Thin-Film Paradigm to Probe Interfacial Diffusion during Solid-State Metathesis Reactions

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