First-principles calculations of oxidation potentials of electrolytes in lithium–sulfur batteries and their variations with changes in environment

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

(2017) Roland Jung et al.   Journal of Physical Chemistry Letters

Stabilizing interface layer of LiNi0.5Co0.2Mn0.3O2 cathode materials under high voltage using p-toluenesulfonyl isocyanate as film forming additive

(2017) Peng Dong et al.   JOURNAL OF POWER SOURCES

Pyrrole as a promising electrolyte additive to trap polysulfides for lithium-sulfur batteries

(2017) Wu Yang et al.   JOURNAL OF POWER SOURCES

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

(2017) Roland Jung et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Radical Decomposition of Ether-Based Electrolytes for Li-S Batteries

(2017) Lucas Lodovico et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Oxidation Decomposition Mechanism of Fluoroethylene Carbonate-Based Electrolytes for High-Voltage Lithium Ion Batteries: A DFT Calculation and Experimental Study

(2017) Lan Xia et al.   ChemistrySelect

Development of novel lithium borate additives for designed surface modification of high voltage LiNi0.5Mn1.5O4 cathodes

(2016) Mengqing Xu et al.   Energy & Environmental Science

Toward Accurate Modeling of the Effect of Ion-Pair Formation on Solute Redox Potential

(2016) Xiaohui Qu et al.   Journal of Chemical Theory and Computation

Electrocatalysis Paradigm for Protection of Cathode Materials in High-Voltage Lithium-Ion Batteries

(2016) Ilya A. Shkrob et al.   Journal of Physical Chemistry C

In situ coating of Poly(3,4-ethylenedioxythiophene) on sulfur cathode for high performance lithium–sulfur batteries

(2016) Jongchan Song et al.   JOURNAL OF POWER SOURCES

Enhancing the Stability of Sulfur Cathodes in Li–S Cells via in Situ Formation of a Solid Electrolyte Layer

(2016) Jung Tae Lee et al.   ACS Energy Letters

Lithium-Sulfur Batteries: Progress and Prospects

(2015) Arumugam Manthiram et al.   ADVANCED MATERIALS

Fluoroethylene Carbonate as Electrolyte Additive for Improving the electrochemical performances of High-Capacity Li1.16[Mn0.75Ni0.25]0.84O2 Material

(2015) Yang Li et al.   ELECTROCHIMICA ACTA

Polysulfide rejection layer from alpha-lipoic acid for high performance lithium–sulfur battery

(2015) Jongchan Song et al.   Journal of Materials Chemistry A

Lithium Iodide as a Promising Electrolyte Additive for Lithium-Sulfur Batteries: Mechanisms of Performance Enhancement

(2014) Feixiang Wu et al.   ADVANCED MATERIALS

Rechargeable Lithium–Sulfur Batteries

(2014) Arumugam Manthiram et al.   CHEMICAL REVIEWS

Improving cyclic stability of lithium nickel manganese oxide cathode for high voltage lithium ion battery by modifying electrode/electrolyte interface with electrolyte additive

(2014) Bin Li et al.   ELECTROCHIMICA ACTA

Improvement in High-voltage Performance of Lithium-ion Batteries Using Bismaleimide as an Electrolyte Additive

(2014) Juping Yang et al.   ELECTROCHIMICA ACTA

Generation of Cathode Passivation Films via Oxidation of Lithium Bis(oxalato) Borate on High Voltage Spinel (LiNi0.5Mn1.5O4)

(2014) Mengqing Xu et al.   Journal of Physical Chemistry C

Improvement of Electrode/Electrolyte Interfaces in High-Voltage Spinel Lithium-Ion Batteries by Using Glutaric Anhydride as Electrolyte Additive

(2014) H. Bouayad et al.   Journal of Physical Chemistry C

Oxidative stability and reaction mechanism of lithium bis(oxalate)borate as a cathode film-forming additive for lithium ion batteries

(2014) Yating Wang et al.   RSC Advances

Effective passivation of a high-voltage positive electrode by 5-hydroxy-1H-indazole additives

(2014) Yoon-Sok Kang et al.   Journal of Materials Chemistry A

A multifunctional phosphite-containing electrolyte for 5 V-class LiNi0.5Mn1.5O4 cathodes with superior electrochemical performance

(2014) Young-Min Song et al.   Journal of Materials Chemistry A

Improvement of cycle stability for high-voltage lithium-ion batteries by in-situ growth of SEI film on cathode

(2014) Jingjing Xu et al.   Nano Energy

The role of fluoride in protecting LiNi0.5Mn1.5O4 electrodes against high temperature degradation

(2013) Ketack Kim et al.   ELECTROCHIMICA ACTA

Mechanistic Insight into the Protective Action of Bis(oxalato)borate and Difluoro(oxalate)borate Anions in Li-Ion Batteries.

(2013) Ilya A. Shkrob et al.   Journal of Physical Chemistry C

Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

Why Do Sulfone-Based Electrolytes Show Stability at High Voltages? Insight from Density Functional Theory

(2013) Yating Wang et al.   Journal of Physical Chemistry Letters

Electrochemical stability of lithium salicylato-borates as electrolyte additives in Li-ion batteries

(2013) Serife Kaymaksiz et al.   JOURNAL OF POWER SOURCES

Tris(trimethylsilyl)phosphate: A film-forming additive for high voltage cathode material in lithium-ion batteries

(2013) Guochun Yan et al.   JOURNAL OF POWER SOURCES

Lithium Tetrafluoroborate as an Electrolyte Additive to Improve the High Voltage Performance of Lithium-Ion Battery

(2013) Xiaoxi Zuo et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Kinetics and mechanism of pyrrole chemical polymerization

(2013) Yang Tan et al.   SYNTHETIC METALS

Effect of lithium difluoro(oxalate)borate (LiDFOB) additive on the performance of high-voltage lithium-ion batteries

(2012) Meng Hu et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases

(2012) Aleksandr V. Marenich et al.   Journal of Chemical Theory and Computation

High-voltage performance of LiCoO2/graphite batteries with methylene methanedisulfonate as electrolyte additive

(2012) Xiaoxi Zuo et al.   JOURNAL OF POWER SOURCES

Effect of tris(trimethylsilyl)borate on the high voltage capacity retention of LiNi0.5Co0.2Mn0.3O2/graphite cells

(2012) Xiaoxi Zuo et al.   JOURNAL OF POWER SOURCES

3-Hexylthiophene as a Stabilizing Additive for High Voltage Cathodes in Lithium-Ion Batteries

(2012) Ali Abouimrane et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Improved Performance of LiNi0.5Mn1.5O4Cathodes with Electrolytes Containing Dimethylmethylphosphonate (DMMP)

(2012) Mengqing Xu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Positive Electrode Passivation by LiDFOB Electrolyte Additive in High-Capacity Lithium-Ion Cells

(2012) Ye Zhu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Effect of Added LiBOB on High Voltage (LiNi0.5Mn1.5O4) Spinel Cathodes

(2011) S. Dalavi et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions

(2011) Ewa Papajak et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate

(2011) Lidan Xing et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electrolyte Additive in Support of 5 V Li Ion Chemistry

(2011) Arthur von Cresce et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Inorganic additives for passivation of high voltage cathode materials

(2010) Li Yang et al.   JOURNAL OF POWER SOURCES

Lithium bis(fluorosulfonyl)imide (LiFSI) as conducting salt for nonaqueous liquid electrolytes for lithium-ion batteries: Physicochemical and electrochemical properties

(2010) Hong-Bo Han et al.   JOURNAL OF POWER SOURCES

Inhibition of Electrolyte Oxidation in Lithium Ion Batteries with Electrolyte Additives

(2009) Li Yang et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Studies on film formation on cathodes using pyrazole derivatives as electrolyte additives in the Li-ion battery

(2009) Daewoong Kam et al.   ELECTROCHEMISTRY COMMUNICATIONS

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lithium difluoro(oxalato)borate/ethylene carbonate+propylene carbonate+ethyl(methyl) carbonate electrolyte for LiMn2O4 cathode

(2009) M.H. Fu et al.   JOURNAL OF POWER SOURCES