Organic-Inorganic Reaction of Li-Containing thin film: Structure of Lithium Propane Dioxide via MLD

Wang, Haotian; Gregorczyk, Keith E.; Lee, Sang Bok; Rubloff, Gary W.; Lin, Chuan-Fu

doi:10.1021/acs.jpcc.9b11868

Organic-Inorganic Reaction of Li-Containing thin film: Structure of Lithium Propane Dioxide via MLD

Journal Article · Thu Feb 27 00:00:00 EST 2020 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.9b11868· OSTI ID:1833064

Wang, Haotian ^[1]; ^[2]; Lee, Sang Bok ^[2]; Rubloff, Gary W. ^[2]; ^[3]

Univ. of Maryland, College Park, MD (United States); University of Maryland
Univ. of Maryland, College Park, MD (United States)
Univ. of Maryland, College Park, MD (United States); The Catholic Univ. of America, Washington, DC (United States)

In combining organometallic with organic precursors, molecular layer deposition (MLD) offers not only an expanded portfolio of molecular combinations but specifically the possibility of tuning mechanical properties for more robust functionality. This is appealing for applications in energy storage, where ion transport in and out of electrodes causes significant stress/strain cycling. It is particularly opportune for Li-ion solid state batteries (LISSBs), where electrode and solid electrolyte structures are usually arranged densely for high power and energy. Despite diverse MLD applications to date, little prior research has been aimed at Li-containing MLD materials and processes. Here, we report the MLD growth and process for a lithium-containing organic thin film using lithium tert-butoxide (LiO^tBu) and 1,3-propanediol, leading to an MLD film of lithium propane dioxide, Li₂O₂C₃H₆ (LPDO), identified through X-ray photoelectron spectroscopy (XPS) and ab initio calculations. The growth showed self-limiting behavior for both precursors, with significant nucleation delay before linear growth at 0.23 Å/cycle at 150 °C, and 0.15 Å/cycle at 200 °C. XPS-determined stoichiometry was Li_1.6O_2.2C₃H₆ at both 150 and 200 °C, while additional species, presumably from incomplete reaction, were found at 100 °C, leading to a notably higher (0.84 Å/cycle) growth rate. The LPDO film showed crystallinity and high surface roughness when grown on the crystalline substrate, while on the amorphous substrate, an amorphous LPDO film with low surface roughness was observed. In addition, high air sensitivity of LPDO film was observed, with Li propyl carbonate and Li carbonate formation under air exposure. Further modification strategies were proposed in order to achieve a MLD or atomic layer deposition-/MLD-based solid electrolyte material.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Maryland, College Park, MD (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0001160; SC0017620

OSTI ID:: 1833064

Alternate ID(s):: OSTI ID: 1767617

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 12 Vol. 124; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (42)

Atomic and Molecular Layer Deposition of Hybrid Mo-Thiolate Thin Films with Enhanced Catalytic Activity MacIsaac, Callisto; Schneider, Joel R.; Closser, Richard G. Advanced Functional Materials, Vol. 28, Issue 26 https://doi.org/10.1002/adfm.201800852	journal	April 2018
Structurally Stable Manganese Alkoxide Films Grown by Hybrid Molecular Layer Deposition for Electrochemical Applications Bergsman, David S.; Baker, Jon G.; Closser, Richard G. Advanced Functional Materials, Vol. 29, Issue 43 https://doi.org/10.1002/adfm.201904129	journal	August 2019
Reversible High-Capacity Si Nanocomposite Anodes for Lithium-ion Batteries Enabled by Molecular Layer Deposition Piper, Daniela Molina; Travis, Jonathan J.; Young, Matthias Advanced Materials, Vol. 26, Issue 10 https://doi.org/10.1002/adma.201304714	journal	December 2013
Atomic Layer Deposition of Li _x Al _y S Solid-State Electrolytes for Stabilizing Lithium-Metal Anodes Cao, Yanqiang; Meng, Xiangbo; Elam, Jeffrey W. ChemElectroChem, Vol. 3, Issue 6 https://doi.org/10.1002/celc.201600139	journal	April 2016
Lithium Aryloxide Thin Films with Guest-Induced Structural Transformation by ALD/MLD Nisula, Mikko; Linnera, Jarno; Karttunen, Antti J. Chemistry - A European Journal, Vol. 23, Issue 13 https://doi.org/10.1002/chem.201605816	journal	January 2017
Molecular Layer Deposition of Zircone and ZrO ₂ /Zircone Alloy Films: Growth and Properties Lee, Byoung H.; Anderson, Virginia R.; George, Steven M. Chemical Vapor Deposition, Vol. 19, Issue 4-6 https://doi.org/10.1002/cvde.201207045	journal	May 2013
Molecular layer deposition builds biocompatible substrates for epithelial cells: BIOCOMPATIBLE SUBSTRATES FOR EPITHELIAL CELLS Momtazi, Leva; Dartt, Darlene A.; Nilsen, Ola Journal of Biomedical Materials Research Part A, Vol. 106, Issue 12 https://doi.org/10.1002/jbm.a.36499	journal	September 2018
A novel approach in controlling the conductivity of thin films using molecular layer deposition Lushington, Andrew; Liu, Jian; Bannis, Mohammad N. Applied Surface Science, Vol. 357 https://doi.org/10.1016/j.apsusc.2015.09.155	journal	December 2015
Cross-linked aluminum dioxybenzene coating for stabilization of silicon electrodes Molina Piper, Daniela; Lee, Younghee; Son, Seoung-Bum Nano Energy, Vol. 22 https://doi.org/10.1016/j.nanoen.2016.02.021	journal	April 2016
Monolayer-precision fabrication of mixed-organic–inorganic nanohybrid superlattices for flexible electronic devices Lee, Byoung H.; Lee, Kwang H.; Im, Seongil Organic Electronics, Vol. 9, Issue 6 https://doi.org/10.1016/j.orgel.2008.08.015	journal	December 2008
Pentacene thin-film on organic/inorganic nanohybrid dielectrics for ZnO charge injection memory transistor Cha, Sung Hoon; Park, Aaron; Lee, Kwang H. Organic Electronics, Vol. 11, Issue 1 https://doi.org/10.1016/j.orgel.2009.09.021	journal	January 2010
The interpretation of XPS spectra: Insights into materials properties Bagus, Paul S.; Ilton, Eugene S.; Nelin, Connie J. Surface Science Reports, Vol. 68, Issue 2 https://doi.org/10.1016/j.surfrep.2013.03.001	journal	June 2013
Molecular layer deposition of ZrO2-based organic–inorganic nanohybrid thin films for organic thin film transistors Lee, Byoung H.; Im, Kyo K.; Lee, Kwang H. Thin Solid Films, Vol. 517, Issue 14 https://doi.org/10.1016/j.tsf.2009.01.173	journal	May 2009
Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding Bagus, Paul S.; Illas, Francesc; Pacchioni, Gianfranco Journal of Electron Spectroscopy and Related Phenomena, Vol. 100, Issue 1-3 https://doi.org/10.1016/s0368-2048(99)00048-1	journal	October 1999
Atomic Layer Deposition of the Solid Electrolyte LiPON Kozen, Alexander C.; Pearse, Alexander J.; Lin, Chuan-Fu Chemistry of Materials, Vol. 27, Issue 15 https://doi.org/10.1021/acs.chemmater.5b01654	journal	July 2015
Effect of Backbone Chemistry on the Structure of Polyurea Films Deposited by Molecular Layer Deposition Bergsman, David S.; Closser, Richard G.; Tassone, Christopher J. Chemistry of Materials, Vol. 29, Issue 3 https://doi.org/10.1021/acs.chemmater.6b04530	journal	January 2017
Nanoscale Solid State Batteries Enabled by Thermal Atomic Layer Deposition of a Lithium Polyphosphazene Solid State Electrolyte Pearse, Alexander J.; Schmitt, Thomas E.; Fuller, Elliot J. Chemistry of Materials, Vol. 29, Issue 8 https://doi.org/10.1021/acs.chemmater.7b00805	journal	April 2017
Oxygen-Deficient Titania with Adjustable Band Positions and Defects; Molecular Layer Deposition of Hybrid Organic–Inorganic Thin Films as Precursors for Enhanced Photocatalysis Sarkar, Debabrata; Ishchuk, Sergey; Taffa, Dereje Hailu The Journal of Physical Chemistry C, Vol. 120, Issue 7 https://doi.org/10.1021/acs.jpcc.5b11795	journal	February 2016
Surface Study of Lithium–Air Battery Oxygen Cathodes in Different Solvent–Electrolyte pairs Marchini, F.; Herrera, S.; Torres, W. Langmuir, Vol. 31, Issue 33 https://doi.org/10.1021/acs.langmuir.5b02130	journal	August 2015
Atomic/Molecular Layer Deposition of Lithium Terephthalate Thin Films as High Rate Capability Li-Ion Battery Anodes Nisula, Mikko; Karppinen, Maarit Nano Letters, Vol. 16, Issue 2 https://doi.org/10.1021/acs.nanolett.5b04604	journal	January 2016
Atomic Layer Deposition of Stable LiAlF ₄ Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling Xie, Jin; Sendek, Austin D.; Cubuk, Ekin D. ACS Nano, Vol. 11, Issue 7 https://doi.org/10.1021/acsnano.7b02561	journal	July 2017
Stabilizing Ni Catalysts by Molecular Layer Deposition for Harsh, Dry Reforming Conditions Gould, Troy D.; Izar, Alan; Weimer, Alan W. ACS Catalysis, Vol. 4, Issue 8 https://doi.org/10.1021/cs500809w	journal	July 2014
Characterization of Lithium Alkyl Carbonates by X-ray Photoelectron Spectroscopy: Experimental and Theoretical Study Dedryvère, R.; Gireaud, L.; Grugeon, S. The Journal of Physical Chemistry B, Vol. 109, Issue 33 https://doi.org/10.1021/jp051626k	journal	August 2005
Alucone Alloys with Tunable Properties Using Alucone Molecular Layer Deposition and Al ₂ O ₃ Atomic Layer Deposition Lee, Byoung H.; Yoon, Byunghoon; Anderson, Virginia R. The Journal of Physical Chemistry C, Vol. 116, Issue 5 https://doi.org/10.1021/jp209003h	journal	February 2012
Highly Conductive and Transparent Hybrid Organic–Inorganic Zincone Thin Films Using Atomic and Molecular Layer Deposition Yoon, Byunghoon; Lee, Byoung H.; George, Steven M. The Journal of Physical Chemistry C, Vol. 116, Issue 46 https://doi.org/10.1021/jp3057477	journal	November 2012
Atomic Layer Deposition of Lithium Tantalate Solid-State Electrolytes Liu, Jian; Banis, Mohammad N.; Li, Xifei The Journal of Physical Chemistry C, Vol. 117, Issue 39 https://doi.org/10.1021/jp4063302	journal	September 2013
Simulation of XPS C1s Spectra of Organic Monolayers by Quantum Chemical Methods Giesbers, Marcel; Marcelis, Antonius T. M.; Zuilhof, Han Langmuir, Vol. 29, Issue 15 https://doi.org/10.1021/la400445s	journal	April 2013
Ultralow Thermal Conductivity of Atomic/Molecular Layer-Deposited Hybrid Organic–Inorganic Zincone Thin Films Liu, Jun; Yoon, Byunghoon; Kuhlmann, Eli Nano Letters, Vol. 13, Issue 11 https://doi.org/10.1021/nl403244s	journal	October 2013
Iron-Terephthalate Coordination Network Thin Films Through In-Situ Atomic/Molecular Layer Deposition Tanskanen, A.; Karppinen, M. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-27124-7	journal	June 2018
In Situ Ambient Pressure X-ray Photoelectron Spectroscopy Studies of Lithium-Oxygen Redox Reactions Lu, Yi-Chun; Crumlin, Ethan J.; Veith, Gabriel M. Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00715	journal	October 2012
Molecular layer deposition of “titanicone”, a titanium-based hybrid material, as an electrode for lithium-ion batteries Van de Kerckhove, Kevin; Mattelaer, Felix; Deduytsche, Davy Dalton Transactions, Vol. 45, Issue 3 https://doi.org/10.1039/C5DT03840E	journal	January 2016
Ab initio calculations of the O1s XPS spectra of ZnO and Zn oxo compounds Kotsis, Konstantinos; Staemmler, Volker Physical Chemistry Chemical Physics, Vol. 8, Issue 13 https://doi.org/10.1039/b515699h	journal	January 2006
Charge trapping behavior in organic–inorganic alloy films grown by molecular layer deposition from trimethylaluminum, p-phenylenediamine and water Zhou, Wenhao; Leem, Jina; Park, Inhye Journal of Materials Chemistry, Vol. 22, Issue 45 https://doi.org/10.1039/c2jm35553a	journal	January 2012
Inorganic–organic superlattice thin films for thermoelectrics Niemelä, J. -P.; Karttunen, A. J.; Karppinen, M. Journal of Materials Chemistry C, Vol. 3, Issue 40 https://doi.org/10.1039/c5tc01643f	journal	January 2015
Single lithium-ion conducting solid polymer electrolytes: advances and perspectives Zhang, Heng; Li, Chunmei; Piszcz, Michal Chemical Society Reviews, Vol. 46, Issue 3 https://doi.org/10.1039/c6cs00491a	journal	January 2017
Molecular layer deposition of “vanadicone”, a vanadium-based hybrid material, as an electrode for lithium-ion batteries Van de Kerckhove, Kevin; Mattelaer, Felix; Dendooven, Jolien Dalton Transactions, Vol. 46, Issue 14 https://doi.org/10.1039/c7dt00374a	journal	January 2017
Atomic layer deposition and first principles modeling of glassy Li ₃ BO ₃ –Li ₂ CO ₃ electrolytes for solid-state Li metal batteries Kazyak, Eric; Chen, Kuan-Hung; Davis, Andrew L. Journal of Materials Chemistry A, Vol. 6, Issue 40 https://doi.org/10.1039/c8ta08761j	journal	January 2018
Self-consistent-field calculations of core excited states Besley, Nicholas A.; Gilbert, Andrew T. B.; Gill, Peter M. W. The Journal of Chemical Physics, Vol. 130, Issue 12 https://doi.org/10.1063/1.3092928	journal	March 2009
The mechanical robustness of atomic-layer- and molecular-layer-deposited coatings on polymer substrates Miller, David C.; Foster, Ross R.; Zhang, Yadong Journal of Applied Physics, Vol. 105, Issue 9 https://doi.org/10.1063/1.3124642	journal	May 2009
Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K–Fr) and alkaline earth (Ca–Ra) elements Hill, J. Grant; Peterson, Kirk A. The Journal of Chemical Physics, Vol. 147, Issue 24 https://doi.org/10.1063/1.5010587	journal	December 2017
Atomic layer deposition of ZnO: a review Tynell, Tommi; Karppinen, Maarit Semiconductor Science and Technology, Vol. 29, Issue 4 https://doi.org/10.1088/0268-1242/29/4/043001	journal	February 2014
Cancer Therapy Utilizing Molecular Layer Deposition and Self-Organized Lightwave Network: Proposal and Theoretical Prediction Yoshimura, Tetsuzo; Yoshino, Chie; Sasaki, Koyo IEEE Journal of Selected Topics in Quantum Electronics, Vol. 18, Issue 3 https://doi.org/10.1109/jstqe.2011.2167676	journal	May 2012

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