Si Oxidation and H2 Gassing During Aqueous Slurry Preparation for Li-Ion Battery Anodes

Hays, Kevin A.; Key, Baris; Li, Jianlin; Wood, David L.; Veith, Gabriel M.

doi:10.1021/acs.jpcc.8b01062

Title: Si Oxidation and H₂ Gassing During Aqueous Slurry Preparation for Li-Ion Battery Anodes

Journal Article · Tue Apr 24 00:00:00 EDT 2018 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b01062· OSTI ID:1436953

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Energy and Transportation Science Division
Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division

Si has the possibility to greatly increase the energy density of Li-ion battery anodes, though it is not without its problems. One issue often overlooked is the decomposition of Si during large scale slurry formulation and battery fabrication. Here, we investigate the mechanism of H₂ production to understand the role of different slurry components and their impact on the Si oxidation and surface chemistry. Mass spectrometry and in situ pressure monitoring identifies that carbon black plays a major role in promoting the oxidation of Si and generation of H₂. Si oxidation also occurs through atmospheric O₂ consumption. Both pathways, along with solvent choice, impact the surface silanol chemistry, as analyzed by ¹H–²⁹Si cross-polarization magic angle spinning nuclear magnetic resonance (MAS NMR) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR FTIR). An understanding of the oxidation of Si, during slurry processing, provides a pathway toward improving the manufacturing of Si based anodes by maximizing its capacity and minimizing safety hazards.

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

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1436953

Journal Information:: Journal of Physical Chemistry. C, Vol. 122, Issue 18; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 21 works

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References (33)

25th Anniversary Article: Understanding the Lithiation of Silicon and Other Alloying Anodes for Lithium-Ion Batteries McDowell, Matthew T.; Lee, Seok Woo; Nix, William D. Advanced Materials, Vol. 25, Issue 36 https://doi.org/10.1002/adma.201301795	journal	August 2013
Review on recent progress of nanostructured anode materials for Li-ion batteries Goriparti, Subrahmanyam; Miele, Ermanno; De Angelis, Francesco Journal of Power Sources, Vol. 257 https://doi.org/10.1016/j.jpowsour.2013.11.103	journal	July 2014
Recent developments in nanostructured anode materials for rechargeable lithium-ion batteries Ji, Liwen; Lin, Zhan; Alcoutlabi, Mataz Energy & Environmental Science, Vol. 4, Issue 8, p. 2682-2699 https://doi.org/10.1039/c0ee00699h	journal	January 2011
Nanostructured anode materials for lithium ion batteries Roy, Poulomi; Srivastava, Suneel Kumar Journal of Materials Chemistry A, Vol. 3, Issue 6 https://doi.org/10.1039/C4TA04980B	journal	January 2015
Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries Li, Jianlin; Du, Zhijia; Ruther, Rose E. JOM, Vol. 69, Issue 9 https://doi.org/10.1007/s11837-017-2404-9	journal	June 2017
Mixed silicon–graphite composites as anode material for lithium ion batteries Dimov, N.; Kugino, S.; Yoshio, M. Journal of Power Sources, Vol. 136, Issue 1 https://doi.org/10.1016/j.jpowsour.2004.05.012	journal	September 2004
Electrochemical lithiation performance and characterization of silicon–graphite composites with lithium, sodium, potassium, and ammonium polyacrylate binders Han, Zhen-Ji; Yamagiwa, Kiyofumi; Yabuuchi, Naoaki Physical Chemistry Chemical Physics, Vol. 17, Issue 5 https://doi.org/10.1039/C4CP04939J	journal	January 2015
Materials processing for lithium-ion batteries Li, Jianlin; Daniel, Claus; Wood, David Journal of Power Sources, Vol. 196, Issue 5, p. 2452-2460 https://doi.org/10.1016/j.jpowsour.2010.11.001	journal	March 2011
Prospects for reducing the processing cost of lithium ion batteries Wood, David L.; Li, Jianlin; Daniel, Claus Journal of Power Sources, Vol. 275 https://doi.org/10.1016/j.jpowsour.2014.11.019	journal	February 2015
Partially Oxidized Silicon Particles for Stable Aqueous Slurries and Practical Large-Scale Making of Si-Based Electrodes Touidjine, Amina; Morcrette, Mathieu; Courty, Matthieu Journal of The Electrochemical Society, Vol. 162, Issue 8 https://doi.org/10.1149/2.0301508jes	journal	January 2015
Silicon Nanoparticles: Stability in Aqueous Slurries and the Optimization of the Oxide Layer Thickness for Optimal Electrochemical Performance Zhang, Linghong; Liu, Yuzi; Key, Baris ACS Applied Materials & Interfaces, Vol. 9, Issue 38 https://doi.org/10.1021/acsami.7b09149	journal	September 2017
The Effects of Native Oxide Surface Layer on the Electrochemical Performance of Si Nanoparticle-Based Electrodes Xun, S.; Song, X.; Wang, L. Journal of The Electrochemical Society, Vol. 158, Issue 12 https://doi.org/10.1149/2.007112jes	journal	January 2011
High-temperature degradation of polyacrylic acid in aqueous solution Gurkaynak, A.; Tubert, F.; Yang, J. Journal of Polymer Science Part A: Polymer Chemistry, Vol. 34, Issue 3 https://doi.org/10.1002/(SICI)1099-0518(199602)34:3<349::AID-POLA3>3.0.CO;2-P	journal	February 1996
Understanding Polyacrylic Acid and Lithium Polyacrylate Binder Behavior in Silicon Based Electrodes for Li-Ion Batteries Porcher, W.; Chazelle, S.; Boulineau, A. Journal of The Electrochemical Society, Vol. 164, Issue 14 https://doi.org/10.1149/2.0821714jes	journal	January 2017
Effect of a Methyl-Protecting Group on the Adsorption of Pyrrolidine on Si(100)-2 × 1 Wang, George T.; Mui, Collin; Musgrave, Charles B. The Journal of Physical Chemistry B, Vol. 105, Issue 16 https://doi.org/10.1021/jp004298r	journal	March 2001
Nanosilicon Electrodes for Lithium-Ion Batteries: Interfacial Mechanisms Studied by Hard and Soft X-ray Photoelectron Spectroscopy Philippe, Bertrand; Dedryvère, Rémi; Allouche, Joachim Chemistry of Materials, Vol. 24, Issue 6 https://doi.org/10.1021/cm2034195	journal	February 2012
On-Demand Hydrogen Generation using Nanosilicon: Splitting Water without Light, Heat, or Electricity Erogbogbo, Folarin; Lin, Tao; Tucciarone, Phillip M. Nano Letters, Vol. 13, Issue 2 https://doi.org/10.1021/nl304680w	journal	January 2013
Electrocatalysis of proton-coupled electron-transfer reactions at glassy carbon electrodes Cabaniss, George E.; Diamantis, A. A.; Murphy, W. Rorer Journal of the American Chemical Society, Vol. 107, Issue 7 https://doi.org/10.1021/ja00293a007	journal	April 1985
Proton and sodium transport in SiO ₂ films Hofstein, S. R. IEEE Transactions on Electron Devices, Vol. 14, Issue 11 https://doi.org/10.1109/T-ED.1967.16102	journal	November 1967
Anisotropic Etching of Crystalline Silicon in Alkaline Solutions: I . Orientation Dependence and Behavior of Passivation Layers Seidel, H.; Csepregi, L.; Heuberger, A. Journal of The Electrochemical Society, Vol. 137, Issue 11, p. 3612-3626 https://doi.org/10.1149/1.2086277	journal	January 1990
Effects of Ambient and Dissolved Oxygen Concentration in Ultrapure Water on Initial Growth of Native Oxide on a Silicon (100) Surface Li, Fuhe; Balazs, Marjorie K.; Anderson, Scott Journal of The Electrochemical Society, Vol. 152, Issue 8 https://doi.org/10.1149/1.1946487	journal	January 2005
Silicon/Graphite Composite Electrodes for High-Capacity Anodes: Influence of Binder Chemistry on Cycling Stability Hochgatterer, N. S.; Schweiger, M. R.; Koller, S. Electrochemical and Solid-State Letters, Vol. 11, Issue 5 https://doi.org/10.1149/1.2888173	journal	January 2008
Systematic Investigation of Binders for Silicon Anodes: Interactions of Binder with Silicon Particles and Electrolytes and Effects of Binders on Solid Electrolyte Interphase Formation Nguyen, Cao Cuong; Yoon, Taeho; Seo, Daniel M. ACS Applied Materials & Interfaces, Vol. 8, Issue 19 https://doi.org/10.1021/acsami.6b03357	journal	May 2016
Critical Role of Silicon Nanoparticles Surface on Lithium Cell Electrochemical Performance Analyzed by FTIR, Raman, EELS, XPS, NMR, and BDS Spectroscopies Delpuech, N.; Mazouzi, D.; Dupré, N. The Journal of Physical Chemistry C, Vol. 118, Issue 31 https://doi.org/10.1021/jp503949y	journal	July 2014
Effect of surface modification on electrochemical performance of nano-sized Si as an anode material for Li-ion batteries Li, Chao; Shi, Tongfei; Li, Decheng RSC Advances, Vol. 6, Issue 41 https://doi.org/10.1039/C5RA28021D	journal	January 2016
Ethylene Carbonate Reduction on Lithiated Surfaces of Hydroxylated Amorphous Silicon Dioxide Perez-Beltran, Saul; Ramírez-Caballero, Gustavo E.; Balbuena, Perla B. Journal of The Electrochemical Society, Vol. 163, Issue 10 https://doi.org/10.1149/2.0371610jes	journal	January 2016
Role of Surface Functionality in the Electrochemical Performance of Silicon Nanowire Anodes for Rechargeable Lithium Batteries Zhou, Hui; Nanda, Jagjit; Martha, Surendra K. ACS Applied Materials & Interfaces, Vol. 6, Issue 10 https://doi.org/10.1021/am500855a	journal	April 2014
Adsorbed Water on Nano-Silicon Powder and Its Effects on Charge and Discharge Characteristics as Anode in Lithium-Ion Batteries Yoshida, Shuhei; Masuo, Yuta; Shibata, Daisuke Journal of The Electrochemical Society, Vol. 164, Issue 1 https://doi.org/10.1149/2.01111701jes	journal	October 2016
The surface chemistry of amorphous silica. Zhuravlev model Zhuravlev, L. T. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 173, Issue 1-3 https://doi.org/10.1016/S0927-7757(00)00556-2	journal	November 2000
What makes lithium substituted polyacrylic acid a better binder than polyacrylic acid for silicon-graphite composite anodes? Hays, Kevin A.; Ruther, Rose E.; Kukay, Alexander J. Journal of Power Sources, Vol. 384 https://doi.org/10.1016/j.jpowsour.2018.02.085	journal	April 2018
Challenges in Lithium‐Ion‐Battery Slurry Preparation and Potential of Modifying Electrode Structures by Different Mixing Processes Wenzel, Valentin; Nirschl, Hermann; Nötzel, Dorit Energy Technology, Vol. 3, Issue 7 https://doi.org/10.1002/ente.201402218	journal	May 2015
Structure and Reactivity of Alucone-Coated Films on Si and Li _x Si _y Surfaces Ma, Yuguang; Martinez de la Hoz, Julibeth M.; Angarita, Ivette ACS Applied Materials & Interfaces, Vol. 7, Issue 22 https://doi.org/10.1021/acsami.5b01917	journal	May 2015
Carbon nanotubes for lithium ion batteries Landi, Brian J.; Ganter, Matthew J.; Cress, Cory D. Energy & Environmental Science, Vol. 2, Issue 6 https://doi.org/10.1039/b904116h	journal	January 2009

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