skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy

Abstract

Carbonate oxidation via dehydrogenation on LiNi 0.8 Co 0.1 Mn 0.1 O 2 at voltages as low as 3.8 V Li was revealed by in situ FT-IR measurements.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [4];  [5];  [6]; ORCiD logo [1]; ORCiD logo [7];  [7]; ORCiD logo [8]; ORCiD logo [4]
  1. Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, USA
  2. Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, USA, Department of Applied Chemistry
  3. Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, USA
  4. Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, USA, Research Laboratory of Electronics
  5. Department of Material Science and Engineering, Massachusetts Institute of Technology, Cambridge, USA
  6. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA
  7. BMW Group, 80788 München, Germany
  8. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, USA, Department of Mathematics
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1575298
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Published Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Name: Energy & Environmental Science; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Zhang, Yirui, Katayama, Yu, Tatara, Ryoichi, Giordano, Livia, Yu, Yang, Fraggedakis, Dimitrios, Sun, Jame Guangwen, Maglia, Filippo, Jung, Roland, Bazant, Martin Z., and Shao-Horn, Yang. Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy. United Kingdom: N. p., 2020. Web. doi:10.1039/C9EE02543J.
Zhang, Yirui, Katayama, Yu, Tatara, Ryoichi, Giordano, Livia, Yu, Yang, Fraggedakis, Dimitrios, Sun, Jame Guangwen, Maglia, Filippo, Jung, Roland, Bazant, Martin Z., & Shao-Horn, Yang. Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy. United Kingdom. doi:10.1039/C9EE02543J.
Zhang, Yirui, Katayama, Yu, Tatara, Ryoichi, Giordano, Livia, Yu, Yang, Fraggedakis, Dimitrios, Sun, Jame Guangwen, Maglia, Filippo, Jung, Roland, Bazant, Martin Z., and Shao-Horn, Yang. Wed . "Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy". United Kingdom. doi:10.1039/C9EE02543J.
@article{osti_1575298,
title = {Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy},
author = {Zhang, Yirui and Katayama, Yu and Tatara, Ryoichi and Giordano, Livia and Yu, Yang and Fraggedakis, Dimitrios and Sun, Jame Guangwen and Maglia, Filippo and Jung, Roland and Bazant, Martin Z. and Shao-Horn, Yang},
abstractNote = {Carbonate oxidation via dehydrogenation on LiNi 0.8 Co 0.1 Mn 0.1 O 2 at voltages as low as 3.8 V Li was revealed by in situ FT-IR measurements.},
doi = {10.1039/C9EE02543J},
journal = {Energy & Environmental Science},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9EE02543J

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

In-situ Fourier transform infrared spectroscopic analysis on dynamic behavior of electrolyte solution on LiFePO4 cathode
journal, October 2013


Cycle life improvement of ZrO2-coated spherical LiNi1/3Co1/3Mn1/3O2 cathode material for lithium ion batteries
journal, March 2009


Solvate Structures and Computational/Spectroscopic Characterization of LiPF 6 Electrolytes
journal, April 2015

  • Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg
  • The Journal of Physical Chemistry C, Vol. 119, Issue 16
  • DOI: 10.1021/acs.jpcc.5b00826

Comparison of Al2O3- and AlPO4-coated LiCoO2 cathode materials for a Li-ion cell
journal, August 2005


Novel LiCoO2 Cathode Material with Al2O3 Coating for a Li Ion Cell
journal, December 2000

  • Cho, Jaephil; Kim, Yong Jeong; Park, Byungwoo
  • Chemistry of Materials, Vol. 12, Issue 12, p. 3788-3791
  • DOI: 10.1021/cm000511k

Synthesis of Ni-Rich Thin-Film Cathode as Model System for Lithium Ion Batteries
journal, January 2019

  • Phillip, Nathan D.; Ruther, Rose E.; Sang, Xiahan
  • ACS Applied Energy Materials, Vol. 2, Issue 2
  • DOI: 10.1021/acsaem.8b01982

Review—Superconcentrated Electrolytes for Lithium Batteries
journal, January 2015

  • Yamada, Yuki; Yamada, Atsuo
  • Journal of The Electrochemical Society, Vol. 162, Issue 14
  • DOI: 10.1149/2.0041514jes

A novel concentration-gradient Li[Ni0.83Co0.07Mn0.10]O2 cathode material for high-energy lithium-ion batteries
journal, January 2011

  • Sun, Yang-Kook; Lee, Bo-Ram; Noh, Hyung-Ju
  • Journal of Materials Chemistry, Vol. 21, Issue 27
  • DOI: 10.1039/c0jm04242k

Improved Cycle Performance of LiNi 0.8 Co 0.1 Mn 0.1 O 2 Positive Electrode Material in Highly Concentrated LiBF 4 /DMC
journal, January 2019

  • Cao, Ziyang; Hashinokuchi, Michihiro; Doi, Takayuki
  • Journal of The Electrochemical Society, Vol. 166, Issue 2
  • DOI: 10.1149/2.0291902jes

Measurement of the electrochemical oxidation of organic electrolytes used in lithium batteries by microelectrode
journal, January 2001


Editors' Choice—Coating-Dependent Electrode-Electrolyte Interface for Ni-Rich Positive Electrodes in Li-Ion Batteries
journal, January 2019

  • Karayaylali, Pinar; Tatara, Ryoichi; Zhang, Yirui
  • Journal of The Electrochemical Society, Vol. 166, Issue 6
  • DOI: 10.1149/2.0461906jes

Measuring Oxygen Release from Delithiated LiNi x Mn y Co 1-x-y O 2 and Its Effects on the Performance of High Voltage Li-Ion Cells
journal, January 2017

  • Xiong, D. J.; Ellis, L. D.; Li, J.
  • Journal of The Electrochemical Society, Vol. 164, Issue 13
  • DOI: 10.1149/2.0291713jes

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

Singlet Oxygen Reactivity with Carbonate Solvents Used for Li-Ion Battery Electrolytes
journal, October 2018

  • Freiberg, Anna T. S.; Roos, Matthias K.; Wandt, Johannes
  • The Journal of Physical Chemistry A, Vol. 122, Issue 45
  • DOI: 10.1021/acs.jpca.8b08079

Studies on electrochemical oxidation of non-aqueous electrolyte on the LiCoO2 thin film electrode
journal, December 1996

  • Kanamura, Kiyoshi; Toriyama, Shigetaka; Shiraishi, Soshi
  • Journal of Electroanalytical Chemistry, Vol. 419, Issue 1
  • DOI: 10.1016/S0022-0728(96)04862-0

High-voltage performance of concentration-gradient Li[Ni0.67Co0.15Mn0.18]O2 cathode material for lithium-ion batteries
journal, December 2010


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Surface layer formation of LiCoO2 thin film electrodes in non-aqueous electrolyte containing lithium bis(oxalate)borate
journal, July 2012


Enhanced Cycling Performance of Ni-Rich Positive Electrodes (NMC) in Li-Ion Batteries by Reducing Electrolyte Free-Solvent Activity
journal, June 2019

  • Tatara, Ryoichi; Yu, Yang; Karayaylali, Pinar
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 38
  • DOI: 10.1021/acsami.9b11942

The Impact of Electrolyte Additives and Upper Cut-off Voltage on the Formation of a Rocksalt Surface Layer in LiNi 0.8 Mn 0.1 Co 0.1 O 2 Electrodes
journal, January 2017

  • Li, Jing; Liu, Hanshuo; Xia, Jian
  • Journal of The Electrochemical Society, Vol. 164, Issue 4
  • DOI: 10.1149/2.0651704jes

SnO 2 Anode Surface Passivation by Atomic Layer Deposited HfO 2 Improves Li-Ion Battery Performance
journal, March 2014


A Study of the Physical Properties of Li-Ion Battery Electrolytes Containing Esters
journal, January 2018

  • Logan, E. R.; Tonita, Erin M.; Gering, K. L.
  • Journal of The Electrochemical Society, Vol. 165, Issue 2
  • DOI: 10.1149/2.0271802jes

The Study of Surface Phenomena Related to Electrochemical Lithium Intercalation into Li[sub x]MO[sub y] Host Materials (M = Ni, Mn)
journal, January 2000

  • Aurbach, Doron; Gamolsky, Kira; Markovsky, Boris
  • Journal of The Electrochemical Society, Vol. 147, Issue 4
  • DOI: 10.1149/1.1393357

Molecular Design of Stable Sulfamide- and Sulfonamide-Based Electrolytes for Aprotic Li-O2 Batteries
journal, October 2019


Decomposition of LiPF 6 in High Energy Lithium-Ion Batteries Studied with Online Electrochemical Mass Spectrometry
journal, January 2016

  • Guéguen, Aurélie; Streich, Daniel; He, Minglong
  • Journal of The Electrochemical Society, Vol. 163, Issue 6
  • DOI: 10.1149/2.0981606jes

Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes
journal, June 2016

  • Shakourian-Fard, Mehdi; Kamath, Ganesh; Sankaranarayanan, Subramanian K. R. S.
  • ChemPhysChem, Vol. 17, Issue 18
  • DOI: 10.1002/cphc.201600338

Study of full concentration-gradient Li(Ni0.8Co0.1Mn0.1)O2 cathode material for lithium ion batteries
journal, November 2014


Probing the Origin of Enhanced Stability of “AlPO4” Nanoparticle Coated LiCoO2 during Cycling to High Voltages: Combined XRD and XPS Studies
journal, October 2009

  • Lu, Yi-Chun; Mansour, Azzam N.; Yabuuchi, Naoaki
  • Chemistry of Materials, Vol. 21, Issue 19, p. 4408-4424
  • DOI: 10.1021/cm900862v

Oxidation of propylene carbonate containing LiBF4 or LiPF6 on LiCoO2 thin film electrode for lithium batteries
journal, October 2001


Electrochemical Kinetics of SEI Growth on Carbon Black: Part II. Modeling
journal, January 2019

  • Das, Supratim; Attia, Peter M.; Chueh, William C.
  • Journal of The Electrochemical Society, Vol. 166, Issue 4
  • DOI: 10.1149/2.0241904jes

Differential Thermal Analysis of Li-Ion Cells as an Effective Probe of Liquid Electrolyte Evolution during Aging
journal, January 2015

  • Day, R. P.; Xia, J.; Petibon, R.
  • Journal of The Electrochemical Society, Vol. 162, Issue 14
  • DOI: 10.1149/2.0181514jes

Review—Development of Diagnostic Process for Commercially Available Batteries, Especially Lithium Ion Battery, by Electrochemical Impedance Spectroscopy
journal, January 2015

  • Osaka, Tetsuya; Mukoyama, Daikichi; Nara, Hiroki
  • Journal of The Electrochemical Society, Vol. 162, Issue 14
  • DOI: 10.1149/2.0141514jes

Determination of the mechanism and extent of surface degradation in Ni-based cathode materials after repeated electrochemical cycling
journal, September 2016

  • Hwang, Sooyeon; Kim, Se Young; Chung, Kyung Yoon
  • APL Materials, Vol. 4, Issue 9
  • DOI: 10.1063/1.4963723

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


XPS Study on Al[sub 2]O[sub 3]- and AlPO[sub 4]-Coated LiCoO[sub 2] Cathode Material for High-Capacity Li Ion Batteries
journal, January 2007

  • Verdier, S.; El Ouatani, L.; Dedryvère, R.
  • Journal of The Electrochemical Society, Vol. 154, Issue 12
  • DOI: 10.1149/1.2789299

The Effect of Electrode-Electrolyte Interface on the Electrochemical Impedance Spectra for Positive Electrode in Li-Ion Battery
journal, November 2018

  • Tatara, Ryoichi; Karayaylali, Pinar; Yu, Yang
  • Journal of The Electrochemical Society, Vol. 166, Issue 3
  • DOI: 10.1149/2.0121903jes

Concentrated Electrolytes for Enhanced Stability of Al-Alloy Negative Electrodes in Li-Ion Batteries
journal, January 2019

  • Chan, Averey K.; Tatara, Ryoichi; Feng, Shuting
  • Journal of The Electrochemical Society, Vol. 166, Issue 10
  • DOI: 10.1149/2.0581910jes

Coupled LiPF 6 Decomposition and Carbonate Dehydrogenation Enhanced by Highly Covalent Metal Oxides in High-Energy Li-Ion Batteries
journal, October 2018

  • Yu, Yang; Karayaylali, Pinar; Katayama, Yu
  • The Journal of Physical Chemistry C, Vol. 122, Issue 48
  • DOI: 10.1021/acs.jpcc.8b07848

Three-Electrode Setups for Lithium-Ion Batteries: I. Fem-Simulation of Different Reference Electrode Designs and Their Implications for Half-Cell Impedance Spectra
journal, December 2016

  • Ender, M.; Illig, J.; Ivers-Tiffée, E.
  • Journal of The Electrochemical Society, Vol. 164, Issue 2
  • DOI: 10.1149/2.0231702jes

The role of Li-ion battery electrolyte reactivity in performance decline and self-discharge
journal, June 2003


Understanding the Role of Temperature and Cathode Composition on Interface and Bulk: Optimizing Aluminum Oxide Coatings for Li-Ion Cathodes
journal, April 2017

  • Han, Binghong; Paulauskas, Tadas; Key, Baris
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 17
  • DOI: 10.1021/acsami.7b00595

Direct evidence of oxygen evolution from Li1+x (Ni1/3Mn1/3Co1/3)1−x O2 at high potentials
journal, February 2008

  • La Mantia, Fabio; Rosciano, Fabio; Tran, Nicolas
  • Journal of Applied Electrochemistry, Vol. 38, Issue 7
  • DOI: 10.1007/s10800-008-9491-9

High-energy cathode material for long-life and safe lithium batteries
journal, March 2009

  • Sun, Yang-Kook; Myung, Seung-Taek; Park, Byung-Chun
  • Nature Materials, Vol. 8, Issue 4
  • DOI: 10.1038/nmat2418

Characterization of ALCVD-Al2O3 and ZrO2 layer using X-ray photoelectron spectroscopy
journal, May 2002


Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies
journal, September 2011

  • Leung, Kevin; Qi, Yue; Zavadil, Kevin R.
  • Journal of the American Chemical Society, Vol. 133, Issue 37
  • DOI: 10.1021/ja205119g

A Study of Electrochemical Reduction of Ethylene and Propylene Carbonate Electrolytes on Graphite Using ATR-FTIR Spectroscopy
journal, January 2005

  • Zhuang, Guorong V.; Yang, Hui; Blizanac, Berislav
  • Electrochemical and Solid-State Letters, Vol. 8, Issue 9
  • DOI: 10.1149/1.1979327

Artificial solid-electrolyte interphase (SEI) for improved cycleability and safety of lithium–ion cells for EV applications
journal, September 2009


Tailoring the Morphology of LiCoO 2 : A First Principles Study
journal, August 2009

  • Kramer, Denis; Ceder, Gerbrand
  • Chemistry of Materials, Vol. 21, Issue 16
  • DOI: 10.1021/cm9008943

Challenges for Rechargeable Li Batteries
journal, February 2010

  • Goodenough, John B.; Kim, Youngsik
  • Chemistry of Materials, Vol. 22, Issue 3, p. 587-603
  • DOI: 10.1021/cm901452z

Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces
journal, April 2018

  • Østergaard, Thomas M.; Giordano, Livia; Castelli, Ivano E.
  • The Journal of Physical Chemistry C, Vol. 122, Issue 19
  • DOI: 10.1021/acs.jpcc.8b01713

Superconcentrated Electrolytes to Create New Interfacial Chemistry in Non-aqueous and Aqueous Rechargeable Batteries
journal, August 2017

  • Yamada, Yuki; Yamada, Atsuo
  • Chemistry Letters, Vol. 46, Issue 8
  • DOI: 10.1246/cl.170284

Solvation-controlled ester-based concentrated electrolyte solutions for high-voltage lithium-ion batteries
journal, June 2018


Electrode–Electrolyte Interface in Li-Ion Batteries: Current Understanding and New Insights
journal, October 2015

  • Gauthier, Magali; Carney, Thomas J.; Grimaud, Alexis
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 22
  • DOI: 10.1021/acs.jpclett.5b01727

LiTDI: A Highly Efficient Additive for Electrolyte Stabilization in Lithium-Ion Batteries
journal, February 2017


In Situ FTIR Spectroscopy Study of Li/LiNi[sub 0.8]Co[sub 0.15]Al[sub 0.05]O[sub 2] Cells with Ionic Liquid-Based Electrolytes in Overcharge Condition
journal, January 2010

  • Sharabi, R.; Markevich, E.; Borgel, V.
  • Electrochemical and Solid-State Letters, Vol. 13, Issue 4
  • DOI: 10.1149/1.3292635

The Effect of Some Nitriles as Electrolyte Additives in Li-Ion Batteries
journal, December 2014

  • Kim, Gu-Yeon; Dahn, J. R.
  • Journal of The Electrochemical Society, Vol. 162, Issue 3
  • DOI: 10.1149/2.0651503jes

Effect of Al 2 O 3 Coating on Stabilizing LiNi 0.4 Mn 0.4 Co 0.2 O 2 Cathodes
journal, August 2015


Ring-Opening Polymerization of Ethylene Carbonate and Depolymerization of Poly(ethylene oxide- c o -ethylene carbonate)
journal, March 2000

  • Lee, Jong-Chan; Litt, Morton H.
  • Macromolecules, Vol. 33, Issue 5
  • DOI: 10.1021/ma9914321

Probing Surface Chemistry Changes Using LiCoO 2 -only Electrodes in Li-Ion Batteries
journal, January 2018

  • Gauthier, Magali; Karayaylali, Pinar; Giordano, Livia
  • Journal of The Electrochemical Society, Vol. 165, Issue 7
  • DOI: 10.1149/2.0431807jes

XSEDE: Accelerating Scientific Discovery
journal, September 2014

  • Towns, John; Cockerill, Timothy; Dahan, Maytal
  • Computing in Science & Engineering, Vol. 16, Issue 5
  • DOI: 10.1109/MCSE.2014.80

Electrochemical Properties of Quaternary Ammonium Salts for Electrochemical Capacitors
journal, January 1997

  • Ue, Makoto
  • Journal of The Electrochemical Society, Vol. 144, Issue 8
  • DOI: 10.1149/1.1837882

Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate
journal, December 2011

  • Xing, Lidan; Borodin, Oleg; Smith, Grant D.
  • The Journal of Physical Chemistry A, Vol. 115, Issue 47
  • DOI: 10.1021/jp206153n

Liquid Structures and Transport Properties of Lithium Bis(fluorosulfonyl)amide/Glyme Solvate Ionic Liquids for Lithium Batteries
journal, January 2019

  • Terada, Shoshi; Ikeda, Kohei; Ueno, Kazuhide
  • Australian Journal of Chemistry, Vol. 72, Issue 2
  • DOI: 10.1071/CH18270

Evaluation of phenyl carbonates as electrolyte additives in lithium-ion batteries
journal, August 2015


Direct In situ Observation of Li 2 O Evolution on Li-Rich High-Capacity Cathode Material, Li[Ni x Li (1–2 x )/3 Mn (2– x )/3 ]O 2 (0 ≤ x ≤0.5)
journal, January 2014

  • Hy, Sunny; Felix, Felix; Rick, John
  • Journal of the American Chemical Society, Vol. 136, Issue 3
  • DOI: 10.1021/ja410137s

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


Oxygen Reduction Reaction in Highly Concentrated Electrolyte Solutions of Lithium Bis(trifluoromethanesulfonyl)amide/Dimethyl Sulfoxide
journal, April 2017

  • Tatara, Ryoichi; Kwabi, David G.; Batcho, Thomas P.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 17
  • DOI: 10.1021/acs.jpcc.7b01738

Combinations of LiPO 2 F 2 and Other Electrolyte Additives in Li[Ni 0.5 Mn 0.3 Co 0.2 ]O 2 /Graphite Pouch Cells
journal, January 2018

  • Ma, Lin; Ellis, Leah; Glazier, S. L.
  • Journal of The Electrochemical Society, Vol. 165, Issue 9
  • DOI: 10.1149/2.0661809jes

Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn 2 O 4 Cathode
journal, January 2014

  • Kumar, Nitin; Leung, Kevin; Siegel, Donald J.
  • Journal of The Electrochemical Society, Vol. 161, Issue 8
  • DOI: 10.1149/2.009408jes

Microstructure Evolution of Concentration Gradient Li[Ni 0.75 Co 0.10 Mn 0.15 ]O 2 Cathode for Lithium-Ion Batteries
journal, May 2018

  • Yoon, Chong S.; Kim, Suk Jun; Kim, Un-Hyuck
  • Advanced Functional Materials, Vol. 28, Issue 28
  • DOI: 10.1002/adfm.201802090

Degradation mechanism of alkyl carbonate solvents used in lithium-ion cells during initial charging
journal, October 1997


Theoretical Investigations on Oxidative Stability of Solvents and Oxidative Decomposition Mechanism of Ethylene Carbonate for Lithium Ion Battery Use
journal, December 2009

  • Xing, Lidan; Li, Weishan; Wang, Chaoyang
  • The Journal of Physical Chemistry B, Vol. 113, Issue 52
  • DOI: 10.1021/jp9074064

The cathode–electrolyte interface in the Li-ion battery
journal, November 2004


Influence of Battery Cell Components and Water on the Thermal and Chemical Stability of LiPF6 Based Lithium Ion Battery Electrolytes
journal, December 2016


A review on electrolyte additives for lithium-ion batteries
journal, November 2006


Electrochemical Kinetics of SEI Growth on Carbon Black: Part I. Experiments
journal, January 2019

  • Attia, Peter M.; Das, Supratim; Harris, Stephen J.
  • Journal of The Electrochemical Society, Vol. 166, Issue 4
  • DOI: 10.1149/2.0231904jes

Electrolyte additives for lithium ion battery electrodes: progress and perspectives
journal, January 2016

  • Haregewoin, Atetegeb Meazah; Wotango, Aselefech Sorsa; Hwang, Bing-Joe
  • Energy Environ. Sci., Vol. 9, Issue 6
  • DOI: 10.1039/C6EE00123H

In situ methods for Li-ion battery research: A review of recent developments
journal, August 2015


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

Ab Initio Modeling of Electrolyte Molecule Ethylene Carbonate Decomposition Reaction on Li(Ni,Mn,Co)O 2 Cathode Surface
journal, June 2017

  • Xu, Shenzhen; Luo, Guangfu; Jacobs, Ryan
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 24
  • DOI: 10.1021/acsami.7b03435

Electrolyte Solvation and Ionic Association II. Acetonitrile-Lithium Salt Mixtures: Highly Dissociated Salts
journal, January 2012

  • Seo, Daniel M.; Borodin, Oleg; Han, Sang-Don
  • Journal of The Electrochemical Society, Vol. 159, Issue 9
  • DOI: 10.1149/2.035209jes

Chemical Reactivity Descriptor for the Oxide-Electrolyte Interface in Li-Ion Batteries
journal, August 2017

  • Giordano, Livia; Karayaylali, Pinar; Yu, Yang
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 16
  • DOI: 10.1021/acs.jpclett.7b01655

Surface film formation on electrodes in a LiCoO2/graphite cell: A step by step XPS study
journal, December 2007


Enhanced Cycleabity in Lithium Ion Batteries: Resulting from Atomic Layer Depostion of Al 2 O 3 or TiO 2 on LiCoO 2 Electrodes
journal, March 2012

  • Cheng, Ho-Ming; Wang, Fu-Ming; Chu, Jinn P.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 14
  • DOI: 10.1021/jp210551r

Computation of Thermodynamic Oxidation Potentials of Organic Solvents Using Density Functional Theory
journal, January 2001

  • Zhang, Xuerong; Pugh, James K.; Ross, Philip N.
  • Journal of The Electrochemical Society, Vol. 148, Issue 5
  • DOI: 10.1149/1.1362546

LiBF 4 -Based Concentrated Electrolyte Solutions for Suppression of Electrolyte Decomposition and Rapid Lithium-Ion Transfer at LiNi 0.5 Mn 1.5 O 4 /Electrolyte Interface
journal, January 2016

  • Doi, Takayuki; Shimizu, Yusuke; Hashinokuchi, Michihiro
  • Journal of The Electrochemical Society, Vol. 163, Issue 10
  • DOI: 10.1149/2.0331610jes

First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on Li x Mn 2 O 4 (100) Surfaces
journal, April 2012

  • Leung, Kevin
  • The Journal of Physical Chemistry C, Vol. 116, Issue 18
  • DOI: 10.1021/jp212415x

On the capacity fading of LiCoO2 intercalation electrodes:
journal, October 2002


Li + solvation in glyme–Li salt solvate ionic liquids
journal, January 2015

  • Ueno, Kazuhide; Tatara, Ryoichi; Tsuzuki, Seiji
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 12
  • DOI: 10.1039/C4CP05943C

Charge-transfer-energy-dependent oxygen evolution reaction mechanisms for perovskite oxides
journal, January 2017

  • Hong, Wesley T.; Stoerzinger, Kelsey A.; Lee, Yueh-Lin
  • Energy & Environmental Science, Vol. 10, Issue 10
  • DOI: 10.1039/C7EE02052J

Effect of LiPF6 concentration in Li[Ni0.4Mn0.4Co0.2]O2/graphite pouch cells operated at 4.5 V
journal, December 2015


Chemical versus Electrochemical Electrolyte Oxidation on NMC111, NMC622, NMC811, LNMO, and Conductive Carbon
journal, September 2017

  • Jung, Roland; Metzger, Michael; Maglia, Filippo
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 19
  • DOI: 10.1021/acs.jpclett.7b01927

Structural and Electrochemical Study of Al 2 O 3 and TiO 2 Coated Li 1.2 Ni 0.13 Mn 0.54 Co 0.13 O 2 Cathode Material Using ALD
journal, June 2013

  • Zhang, Xiaofeng; Belharouak, Ilias; Li, Li
  • Advanced Energy Materials, Vol. 3, Issue 10
  • DOI: 10.1002/aenm.201300269

The study of the anodic stability of alkyl carbonate solutions by in situ FTIR spectroscopy, EQCM, NMR and MS
journal, February 2001


Precision Measurements of the Coulombic Efficiency of Lithium-Ion Batteries and of Electrode Materials for Lithium-Ion Batteries
journal, January 2010

  • Smith, A. J.; Burns, J. C.; Trussler, S.
  • Journal of The Electrochemical Society, Vol. 157, Issue 2
  • DOI: 10.1149/1.3268129

Toward Reliable Values of Electrochemical Stability Limits for Electrolytes
journal, January 1999

  • Xu, Kang
  • Journal of The Electrochemical Society, Vol. 146, Issue 11
  • DOI: 10.1149/1.1392609

Oxidation energies of transition metal oxides within the GGA + U framework
journal, May 2006


Nickel-Rich Layered Cathode Materials for Automotive Lithium-Ion Batteries: Achievements and Perspectives
journal, December 2016


Ab initio energetics of La B O 3 ( 001 ) ( B = Mn , Fe, Co, and Ni) for solid oxide fuel cell cathodes
journal, December 2009


Review on electrode–electrolyte solution interactions, related to cathode materials for Li-ion batteries
journal, March 2007


Oxygen Release and Its Effect on the Cycling Stability of LiNi x Mn y Co z O 2 (NMC) Cathode Materials for Li-Ion Batteries
journal, January 2017

  • Jung, Roland; Metzger, Michael; Maglia, Filippo
  • Journal of The Electrochemical Society, Vol. 164, Issue 7
  • DOI: 10.1149/2.0021707jes

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


Towards high throughput screening of electrochemical stability of battery electrolytes
journal, August 2015


Oxidative-Stability Enhancement and Charge Transport Mechanism in Glyme–Lithium Salt Equimolar Complexes
journal, August 2011

  • Yoshida, Kazuki; Nakamura, Megumi; Kazue, Yuichi
  • Journal of the American Chemical Society, Vol. 133, Issue 33, p. 13121-13129
  • DOI: 10.1021/ja203983r