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Title: The nanoscale structure of the electrolyte–metal oxide interface

Abstract

Combined experimental and theoretical insights into electrolyte–electrode interfaces relevant to lithium ion batteries.

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [1];  [4]; ORCiD logo [5]; ORCiD logo [5]; ORCiD logo [1]
+ Show Author Affiliations
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
  3. Stanford Univ., Stanford, CA (United States)
  4. ESRF, Grenoble Cedex (France)
  5. U.S. Army Research Lab., Adelphi, MD (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1439106
Grant/Contract Number:  
AC02-76SF00515; FOA-0000559
Resource Type:
Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 11; Journal Issue: 3; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Steinruck, Hans -Georg, Cao, Chuntian, Tsao, Yuchi, Takacs, Christopher J., Konovalov, Oleg, Vatamanu, Jenel, Borodin, Oleg, and Toney, Michael F.. The nanoscale structure of the electrolyte–metal oxide interface. United States: N. p., 2018. Web. doi:10.1039/c7ee02724a.
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Steinruck, Hans -Georg, Cao, Chuntian, Tsao, Yuchi, Takacs, Christopher J., Konovalov, Oleg, Vatamanu, Jenel, Borodin, Oleg, & Toney, Michael F.. The nanoscale structure of the electrolyte–metal oxide interface. United States. https://doi.org/10.1039/c7ee02724a
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Steinruck, Hans -Georg, Cao, Chuntian, Tsao, Yuchi, Takacs, Christopher J., Konovalov, Oleg, Vatamanu, Jenel, Borodin, Oleg, and Toney, Michael F.. Wed . "The nanoscale structure of the electrolyte–metal oxide interface". United States. https://doi.org/10.1039/c7ee02724a. https://www.osti.gov/servlets/purl/1439106.
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@article{osti_1439106,
title = {The nanoscale structure of the electrolyte–metal oxide interface},
author = {Steinruck, Hans -Georg and Cao, Chuntian and Tsao, Yuchi and Takacs, Christopher J. and Konovalov, Oleg and Vatamanu, Jenel and Borodin, Oleg and Toney, Michael F.},
abstractNote = {Combined experimental and theoretical insights into electrolyte–electrode interfaces relevant to lithium ion batteries.},
doi = {10.1039/c7ee02724a},
journal = {Energy & Environmental Science},
number = 3,
volume = 11,
place = {United States},
year = {2018},
month = {1}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/c7ee02724a
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Cited by: 36 works
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Figures / Tables:

Fig. 1 Fig. 1: Sketches of the molecules of the individual species comprising the investigated LiPF6 in EC:DMC electrolyte solution. Hydrogen atoms are white, carbon atoms grey, oxygen atoms red, phosphor atoms orange, and fluoride atoms blue. The arrows indicate the molecular size, and include the molecules’ van-der-Waals radii.
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Works referenced in this record:

Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability
journal, August 2017

Atomic-Scale Structure of a Liquid Metal−Insulator Interface
journal, March 2010

  • Tamam, Lilach; Pontoni, Diego; Hofmann, Tommy
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 7
  • DOI: 10.1021/jz1000209

A New Lipid Anchor for Sparsely Tethered Bilayer Lipid Membranes †
journal, April 2009

  • Heinrich, Frank; Ng, Tiffany; Vanderah, David J.
  • Langmuir, Vol. 25, Issue 7
  • DOI: 10.1021/la8033275

Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure
journal, November 2017

In Situ Potentiodynamic Analysis of the Electrolyte/Silicon Electrodes Interface Reactions - A Sum Frequency Generation Vibrational Spectroscopy Study
journal, January 2016

  • Horowitz, Yonatan; Han, Hui-Ling; Ross, Philip N.
  • Journal of the American Chemical Society, Vol. 138, Issue 3
  • DOI: 10.1021/jacs.5b10333

Solid-liquid interfaces of ionic liquid solutions—Interfacial layering and bulk correlations
journal, April 2015

  • Mezger, Markus; Roth, Roland; Schröder, Heiko
  • The Journal of Chemical Physics, Vol. 142, Issue 16
  • DOI: 10.1063/1.4918742

Ion Distributions near a Liquid-Liquid Interface
journal, January 2006

Layering of a liquid metal in contact with a hard wall
journal, November 1997

  • Huisman, Willem Jan; Peters, Joost F.; Zwanenburg, Michel J.
  • Nature, Vol. 390, Issue 6658
  • DOI: 10.1038/37069

Structural Investigations of Self-Assembled Monolayers for Organic Electronics: Results from X-ray Reflectivity
journal, June 2015

  • Khassanov, Artoem; Steinrück, Hans-Georg; Schmaltz, Thomas
  • Accounts of Chemical Research, Vol. 48, Issue 7
  • DOI: 10.1021/acs.accounts.5b00022

Complementary Molecular Dynamics and X-ray Reflectivity Study of an Imidazolium-Based Ionic Liquid at a Neutral Sapphire Interface
journal, January 2015

  • Brkljača, Zlatko; Klimczak, Michael; Miličević, Zoran
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 3
  • DOI: 10.1021/jz5024493

Surface Tension Measurements of Surface Freezing in Liquid Normal Alkanes
journal, August 1993

Model Approach in Heterogeneous Catalysis: Kinetics and Thermodynamics of Surface Reactions
journal, September 2015

X-Ray Reflectivity Measurements of Surface Layering in Liquid Mercury
journal, May 1995

Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study
journal, November 2012

  • Xing, Lidan; Vatamanu, Jenel; Borodin, Oleg
  • The Journal of Physical Chemistry C, Vol. 116, Issue 45
  • DOI: 10.1021/jp3054179

Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring
journal, February 2013

  • Jorn, Ryan; Kumar, Revati; Abraham, Daniel P.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 8
  • DOI: 10.1021/jp3102282

Checkerboard Self-Patterning of an Ionic Liquid Film on Mercury
journal, May 2011

Melting and freezing at surfaces
journal, August 1999

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, October 2004

Electrolytes and Interphases in Li-Ion Batteries and Beyond
journal, October 2014

PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004

  • Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
  • Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
  • DOI: 10.1107/S0021889804011744

Untersuchungen zur Totalreflexion von Röntgenstrahlen
journal, January 1931

Influence of surface topology and electrostatic potential on water/electrode systems
journal, January 1995

  • Siepmann, J. Ilja; Sprik, Michiel
  • The Journal of Chemical Physics, Vol. 102, Issue 1
  • DOI: 10.1063/1.469429

Electrochemical interface between an ionic liquid and a model metallic electrode
journal, February 2007

  • Reed, Stewart K.; Lanning, Oliver J.; Madden, Paul A.
  • The Journal of Chemical Physics, Vol. 126, Issue 8
  • DOI: 10.1063/1.2464084

A review of molecular modelling of electric double layer capacitors
journal, January 2014

  • Burt, Ryan; Birkett, Greg; Zhao, X. S.
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 14
  • DOI: 10.1039/c3cp55186e

A Gouy–Chapman–Stern model of the double layer at a (metal)/(ionic liquid) interface
journal, February 2008

Surface Layering at the Mercury-Electrolyte Interface
journal, March 2010

Solvated Li-Ion Transfer at Interface Between Graphite and Electrolyte
journal, January 2004

  • Abe, Takeshi; Fukuda, Hideo; Iriyama, Yasutoshi
  • Journal of The Electrochemical Society, Vol. 151, Issue 8
  • DOI: 10.1149/1.1763141

Nanoscale Structure of the Oil-Water Interface
journal, December 2016

Molecular Layering of Fluorinated Ionic Liquids at a Charged Sapphire (0001) Surface
journal, October 2008

Observation of Surface Layering in a Nonmetallic Liquid
journal, March 2006

Electrical double layers. 4. Limitations of the Gouy-Chapman theory
journal, August 1982

  • Torrie, G. M.; Valleau, J. P.
  • The Journal of Physical Chemistry, Vol. 86, Issue 16
  • DOI: 10.1021/j100213a035

Anion Solvation in Carbonate-Based Electrolytes
journal, November 2015

  • von Wald Cresce, Arthur; Gobet, Mallory; Borodin, Oleg
  • The Journal of Physical Chemistry C, Vol. 119, Issue 49
  • DOI: 10.1021/acs.jpcc.5b08895

In Situ Study of Silicon Electrode Lithiation with X-ray Reflectivity
journal, November 2016

Studies of the Electrochemical Double Layer at (100) Au in Perchloric Acid Solutions by In Situ Infrared Spectroscopy
journal, January 1996

  • Marinković, Nebojsa S.
  • Journal of The Electrochemical Society, Vol. 143, Issue 8
  • DOI: 10.1149/1.1837019

Order and Melting in Self-Assembled Alkanol Monolayers on Amorphous SiO 2
journal, July 2015

  • Haddad, Julia; Steinrück, Hans-Georg; Hlaing, Htay
  • The Journal of Physical Chemistry C, Vol. 119, Issue 31
  • DOI: 10.1021/acs.jpcc.5b03554

Unifying Interfacial Self-Assembly and Surface Freezing
journal, March 2011

Structure of Water Adsorbed on a Mica Surface
journal, August 2002

Pseudorotational Epitaxy of Self-Assembled Octadecyltrichlorosilane Monolayers on Sapphire (0001)
journal, October 2014

Origin of Interface Magnetism in BiMnO 3 / SrTiO 3 and LaAlO 3 / SrTiO 3 Heterostructures
journal, August 2013

Surface Layering in Liquid Gallium: An X-Ray Reflectivity Study
journal, September 1995

Particle mesh Ewald method for three-dimensional systems with two-dimensional periodicity
journal, May 2001

The Lotus Effect:  Superhydrophobicity and Metastability
journal, April 2004

Solvation Sheath of Li + in Nonaqueous Electrolytes and Its Implication of Graphite/Electrolyte Interface Chemistry
journal, May 2007

  • Xu, Kang; Lam, Yiufai; Zhang, Sheng S.
  • The Journal of Physical Chemistry C, Vol. 111, Issue 20
  • DOI: 10.1021/jp068691u

Atomic-Scale Quantification of Grain Boundary Segregation in Nanocrystalline Material
journal, March 2014

Decay of interfacial fluid ordering probed by X-ray reflectivity
journal, January 2012

Molecular Structure of Canonical Liquid Crystal Interfaces
journal, March 2017

  • Sadati, Monirosadat; Ramezani-Dakhel, Hadi; Bu, Wei
  • Journal of the American Chemical Society, Vol. 139, Issue 10
  • DOI: 10.1021/jacs.7b00167

Low-Voltage Self-Assembled Monolayer Field-Effect Transistors on Flexible Substrates
journal, June 2013

  • Schmaltz, Thomas; Amin, Atefeh Y.; Khassanov, Artoem
  • Advanced Materials, Vol. 25, Issue 32
  • DOI: 10.1002/adma.201301176

Molecular-Scale Density Oscillations in Water Adjacent to a Mica Surface
journal, September 2001

Troika II: a versatile beamline for the study of liquid and solid interfaces
journal, April 2005

  • Smilgies, Detlef-M.; Boudet, Nathalie; Struth, Bernd
  • Journal of Synchrotron Radiation, Vol. 12, Issue 3
  • DOI: 10.1107/S0909049505000361

Observation of Molecular Layering in Thin Liquid Films Using X-Ray Reflectivity
journal, March 1999

Voltage-Controlled Interfacial Layering in an Ionic Liquid on SrTiO 3
journal, March 2016

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids
journal, August 2009

  • Borodin, Oleg
  • The Journal of Physical Chemistry B, Vol. 113, Issue 33
  • DOI: 10.1021/jp905220k

Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF 6 Electrolyte near Graphite Surface as a Function of Electrode Potential
journal, December 2011

  • Vatamanu, Jenel; Borodin, Oleg; Smith, Grant D.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 1
  • DOI: 10.1021/jp2101539

Voltage-dependent ordering of water molecules at an electrode–electrolyte interface
journal, March 1994

  • Toney, Michael F.; Howard, Jason N.; Richer, Jocelyn
  • Nature, Vol. 368, Issue 6470
  • DOI: 10.1038/368444a0

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
journal, August 2012

  • Hanwell, Marcus D.; Curtis, Donald E.; Lonie, David C.
  • Journal of Cheminformatics, Vol. 4, Issue 1
  • DOI: 10.1186/1758-2946-4-17

Charge storage at the nanoscale: understanding the trends from the molecular scale perspective
journal, January 2017

  • Vatamanu, Jenel; Borodin, Oleg; Olguin, Marco
  • Journal of Materials Chemistry A, Vol. 5, Issue 40
  • DOI: 10.1039/C7TA05153K

A smooth particle mesh Ewald method
journal, November 1995

  • Essmann, Ulrich; Perera, Lalith; Berkowitz, Max L.
  • The Journal of Chemical Physics, Vol. 103, Issue 19
  • DOI: 10.1063/1.470117

Critical Drying of Liquids
journal, October 2016

Preferential Adsorption of Solvents on the Cathode Surface of Lithium Ion Batteries
journal, April 2013

Preferential Adsorption of Solvents on the Cathode Surface of Lithium Ion Batteries
journal, April 2013

  • Yu, Le; Liu, Huijin; Wang, Yan
  • Angewandte Chemie International Edition, Vol. 52, Issue 22
  • DOI: 10.1002/anie.201209976

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
journal, December 2004

Molecular-Scale Density Oscillations in Water Adjacent to a Mica Surface
text, January 2001

Voltage Controlled Interfacial Layering in an Ionic Liquid on SrTiO$_3$
text, January 2016

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