Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

Molecular dynamics simulations of the first charge of a Li-ion—Si-anode nanobattery

(2017) Diego E. Galvez-Aranda et al.   JOURNAL OF MOLECULAR MODELING

Mesoscale Elucidation of Solid Electrolyte Interphase Layer Formation in Li-Ion Battery Anode

(2017) Feng Hao et al.   Journal of Physical Chemistry C

Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces

(2017) Kevin Leung et al.   Journal of Physical Chemistry C

Analysis of a Li-Ion Nanobattery with Graphite Anode Using Molecular Dynamics Simulations

(2017) Victor Ponce et al.   Journal of Physical Chemistry C

Li+ Transport and Mechanical Properties of Model Solid Electrolyte Interphases (SEI): Insight from Atomistic Molecular Dynamics Simulations

(2017) Dmitry Bedrov et al.   Journal of Physical Chemistry C

Reduction of Electrolyte Components on a Coated Si Anode of Lithium-Ion Batteries

(2017) Jose L. Gomez-Ballesteros et al.   Journal of Physical Chemistry Letters

Comparative investigation of solid electrolyte interphases created by the electrolyte additives vinyl ethylene carbonate and dicyano ketene vinyl ethylene acetal

(2017) Coralie Forestier et al.   JOURNAL OF POWER SOURCES

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes

(2017) Liumin Suo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate

(2017) Yanting Jin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing SEI Morphology: In-Depth Analysis of a Modeling Approach

(2017) Fabian Single et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Insights into the Li Intercalation and SEI Formation on LiSi Nanoclusters

(2017) Kie Hankins et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

(2017) Laura Benitez et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

On the application of constant electrode potential simulation techniques in atomistic modelling of electric double layers

(2017) Jenel Vatamanu et al.   MOLECULAR SIMULATION

Reviving the lithium metal anode for high-energy batteries

(2017) Dingchang Lin et al.   Nature Nanotechnology

New insights into the electroreduction of ethylene sulfite as an electrolyte additive for facilitating solid electrolyte interphase formation in lithium ion batteries

(2017) Youmin Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantitative description on structure–property relationships of Li-ion battery materials for high-throughput computations

(2017) Youwei Wang et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Regulating Li deposition at artificial solid electrolyte interphases

(2017) Lei Fan et al.   Journal of Materials Chemistry A

Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode

(2017) Yizhou Zhu et al.   Advanced Science

Computational Exploration of the Li-Electrode|Electrolyte Interface in the Presence of a Nanometer Thick Solid-Electrolyte Interphase Layer

(2016) Yunsong Li et al.   ACCOUNTS OF CHEMICAL RESEARCH

Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model

(2016) Jie Pan et al.   ACS Applied Materials & Interfaces

Low-Cost Al2O3 Coating Layer As a Preformed SEI on Natural Graphite Powder To Improve Coulombic Efficiency and High-Rate Cycling Stability of Lithium-Ion Batteries

(2016) Tianyu Feng et al.   ACS Applied Materials & Interfaces

Li2S Film Formation on Lithium Anode Surface of Li–S batteries

(2016) Zhixiao Liu et al.   ACS Applied Materials & Interfaces

Advanced High-Voltage Aqueous Lithium-Ion Battery Enabled by “Water-in-Bisalt” Electrolyte

(2016) Liumin Suo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling

(2016) Seong Jin An et al.   CARBON

First-Principles Modeling of Mn(II) Migration above and Dissolution from LixMn2O4 (001) Surfaces

(2016) Kevin Leung   CHEMISTRY OF MATERIALS

Multi-scale computation methods: Their applications in lithium-ion battery research and development

(2016) Siqi Shi et al.   Chinese Physics B

Computational modeling of Li-ion batteries

(2016) D. Grazioli et al.   COMPUTATIONAL MECHANICS

Effect of Anode Composition on Solid Electrolyte Interphase Formation

(2016) Ashkan Moradabadi et al.   ELECTROCHIMICA ACTA

Improved compatibility of graphite anode for lithium ion battery using sulfuric esters

(2016) Zhiying Ding et al.   ELECTROCHIMICA ACTA

Elucidating Oligomer-Surface and Oligomer-Oligomer Interactions at a Lithiated Silicon Surface

(2016) Fernando A. Soto et al.   ELECTROCHIMICA ACTA

Importance of Reduction and Oxidation Stability of High Voltage Electrolytes and Additives

(2016) Samuel A. Delp et al.   ELECTROCHIMICA ACTA

A computational framework for scale-bridging in multi-scale simulations

(2016) J. Knap et al.   INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

Electrolyte decomposition on Li-metal surfaces from first-principles theory

(2016) Mahsa Ebadi et al.   JOURNAL OF CHEMICAL PHYSICS

SEI-forming electrolyte additives for lithium-ion batteries: development and benchmarking of computational approaches

(2016) Piotr Jankowski et al.   JOURNAL OF MOLECULAR MODELING

Electron Transport and Electrolyte Reduction in the Solid-Electrolyte Interphase of Rechargeable Lithium Ion Batteries with Silicon Anodes

(2016) Laura Benitez et al.   Journal of Physical Chemistry C

Effects of High and Low Salt Concentration in Electrolytes at Lithium–Metal Anode Surfaces

(2016) Luis E. Camacho-Forero et al.   Journal of Physical Chemistry C

Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An eReaxFF Molecular Dynamics Study

(2016) Md Mahbubul Islam et al.   Journal of Physical Chemistry C

Stability of Solid Electrolyte Interphase Components on Lithium Metal and Reactive Anode Material Surfaces

(2016) Kevin Leung et al.   Journal of Physical Chemistry C

Facile reduction of pseudo-carbonates: Promoting solid electrolyte interphases with dicyanoketene alkylene acetals in lithium-ion batteries

(2016) Coralie Forestier et al.   JOURNAL OF POWER SOURCES

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components

(2016) Yu-Xiao Lin et al.   JOURNAL OF POWER SOURCES

Surface-Electrolyte Interphase Formation in Lithium-Ion Cells Containing Pyridine Adduct Additives

(2016) David S. Hall et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Thermostable Artificial Solid-Electrolyte Interface Layer Covalently Linked to Graphite for Lithium Ion Battery: Molecular Dynamics Simulations

(2016) Hyein Guk et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Interfacial Study on Solid Electrolyte Interphase at Li Metal Anode: Implication for Li Dendrite Growth

(2016) Z. Liu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

(2016) Qinglin Zhang et al.   NANO LETTERS

Structure and Li+ ion transport in a mixed carbonate/LiPF6 electrolyte near graphite electrode surfaces: a molecular dynamics study

(2016) Mathew J. Boyer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics and morphology of solid electrolyte interphase (SEI)

(2016) Fabian Single et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

(2016) Yukihiro Okuno et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation

(2016) Sung-Yup Kim et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-throughput computational design of cathode coatings for Li-ion batteries

(2016) Muratahan Aykol et al.   Nature Communications

Recent Developments of the Lithium Metal Anode for Rechargeable Non-Aqueous Batteries

(2016) Kai Zhang et al.   Advanced Energy Materials

Theoretical and experimental investigations of the Li storage capacity in single-walled carbon nanotube bundles

(2016) G. Ramos-Sanchez et al.   RSC Advances

Modeling solid-electrolyte interfacial phenomena in silicon anodes

(2016) FA Soto et al.   Current Opinion in Chemical Engineering

Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation

(2016) G. Ramos-Sanchez et al.   Journal of Electrochemical Energy Conversion and Storage

Structure and Reactivity of Alucone-Coated Films on Si and LixSiy Surfaces

(2015) Yuguang Ma et al.   ACS Applied Materials & Interfaces

First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

(2015) Handan Yildirim et al.   ACS Applied Materials & Interfaces

Next-Generation Lithium Metal Anode Engineering via Atomic Layer Deposition

(2015) Alexander C. Kozen et al.   ACS Nano

Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives

(2015) Mahesh Datt Bhatt et al.   CHEMICAL PHYSICS LETTERS

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries

(2015) Fernando A. Soto et al.   CHEMISTRY OF MATERIALS

The Electrolyte Genome project: A big data approach in battery materials discovery

(2015) Xiaohui Qu et al.   COMPUTATIONAL MATERIALS SCIENCE

How Voltage Drops Are Manifested by Lithium Ion Configurations at Interfaces and in Thin Films on Battery Electrodes

(2015) Kevin Leung et al.   Journal of Physical Chemistry C

Exfoliation of Electrolyte-Intercalated Graphene: Molecular Dynamics Simulation Study

(2015) One-Sun Lee et al.   Journal of Physical Chemistry C

First-Principles Calculations of Lithiation of a Hydroxylated Surface of Amorphous Silicon Dioxide

(2015) Saul Perez-Beltran et al.   Journal of Physical Chemistry C

Effect of the Electrolyte Composition on SEI Reactions at Si Anodes of Li-Ion Batteries

(2015) Julibeth M. Martinez de la Hoz et al.   Journal of Physical Chemistry C

Reactivity at the Lithium–Metal Anode Surface of Lithium–Sulfur Batteries

(2015) Luis E. Camacho-Forero et al.   Journal of Physical Chemistry C

Electrode–Electrolyte Interface in Li-Ion Batteries: Current Understanding and New Insights

(2015) Magali Gauthier et al.   Journal of Physical Chemistry Letters

The role of prop-1-ene-1,3-sultone as an additive in lithium-ion cells

(2015) Julian Self et al.   JOURNAL OF POWER SOURCES

Component-/structure-dependent elasticity of solid electrolyte interphase layer in Li-ion batteries: Experimental and computational studies

(2015) Hosop Shin et al.   JOURNAL OF POWER SOURCES

Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes

(2015) Stephan L. Koch et al.   JOURNAL OF POWER SOURCES

Simulation and Experiment on Solid Electrolyte Interphase (SEI) Morphology Evolution and Lithium-Ion Diffusion

(2015) P. Guan et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Fluoroethylene Carbonate as Electrolyte Additive in Tetraethylene Glycol Dimethyl Ether Based Electrolytes for Application in Lithium Ion and Lithium Metal Batteries

(2015) J. Heine et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Development of Pyridine-Boron Trifluoride Electrolyte Additives for Lithium-Ion Batteries

(2015) M. Nie et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation

(2015) Keisuke Ushirogata et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Modeling the SEI-Formation on Graphite Electrodes in LiFePO4 Batteries

(2015) D. Li et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Towards high throughput screening of electrochemical stability of battery electrolytes

(2015) Oleg Borodin et al.   NANOTECHNOLOGY

How to estimate solid-electrolyte-interphase features when screening electrolyte materials

(2015) Tamara Husch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Predicting the voltage dependence of interfacial electrochemical processes at lithium-intercalated graphite edge planes

(2015) Kevin Leung   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes

(2015) Jie Pan et al.   PHYSICAL REVIEW B

A Review of Solid Electrolyte Interphases on Lithium Metal Anode

(2015) Xin-Bing Cheng et al.   Advanced Science

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Electron transfer through solid-electrolyte-interphase layers formed on Si anodes of Li-ion batteries

(2014) L. Benitez et al.   ELECTROCHIMICA ACTA

Interfacial Structure and Dynamics of the Lithium Alkyl Dicarbonate SEI Components in Contact with the Lithium Battery Electrolyte

(2014) Oleg Borodin et al.   Journal of Physical Chemistry C

On Electrolyte-Dependent Formation of Solid Electrolyte Interphase Film in Lithium-Ion Batteries: Strong Sensitivity to Small Structural Difference of Electrolyte Molecules

(2014) Norio Takenaka et al.   Journal of Physical Chemistry C

The formation and stability of the solid electrolyte interface on the graphite anode

(2014) Victor A. Agubra et al.   JOURNAL OF POWER SOURCES

A thermal-electrochemical model that gives spatial-dependent growth of solid electrolyte interphase in a Li-ion battery

(2014) Lin Liu et al.   JOURNAL OF POWER SOURCES

Molecular Engineering toward Stabilized Interface: An Electrolyte Additive for High-Performance Li-Ion Battery

(2014) Lu Zhang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

DFT Study of Reduction Mechanisms of Ethylene Carbonate and Fluoroethylene Carbonate on Li+-Adsorbed Si Clusters

(2014) Yuguang Ma et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The Role of Carbonate and Sulfite Additives in Propylene Carbonate-Based Electrolytes on the Formation of SEI Layers at Graphitic Li-Ion Battery Anodes

(2014) Mahesh Datt Bhatt et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Lithium Concentration Dependent Elastic Properties of Battery Electrode Materials from First Principles Calculations

(2014) Yue Qi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Property Evolution of Al2O3Coated and Uncoated Si Electrodes: A First Principles Investigation

(2014) Sung-Yup Kim et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

From Ab Initio Calculations to Multiscale Design of Si/C Core–Shell Particles for Li-Ion Anodes

(2014) Maria E. Stournara et al.   NANO LETTERS

In Situ and Quantitative Characterization of Solid Electrolyte Interphases

(2014) Arthur v. Cresce et al.   NANO LETTERS

Reduction mechanisms of additives on Si anodes of Li-ion batteries

(2014) Julibeth M. Martínez de la Hoz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

3D visualization of inhomogeneous multi-layered structure and Young's modulus of the solid electrolyte interphase (SEI) on silicon anodes for lithium ion batteries

(2014) Jieyun Zheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

In Situ Formation of Protective Coatings on Sulfur Cathodes in Lithium Batteries with LiFSI-Based Organic Electrolytes

(2014) Hyea Kim et al.   Advanced Energy Materials

Reversible High-Capacity Si Nanocomposite Anodes for Lithium-ion Batteries Enabled by Molecular Layer Deposition

(2013) Daniela Molina Piper et al.   ADVANCED MATERIALS

Lithium metal anodes for rechargeable batteries

(2013) Wu Xu et al.   Energy & Environmental Science

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries

(2013) J. M. Garcia-Lastra et al.   Journal of Physical Chemistry C

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

(2013) Ryan Jorn et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

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

Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries

(2013) Kevin Leung et al.   Journal of Physical Chemistry C

Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries

(2013) Siqi Shi et al.   Journal of Physical Chemistry C

Reduction of Carbonate Electrolytes and the Formation of Solid-Electrolyte Interface (SEI) in Lithium-Ion Batteries. 1. Spectroscopic Observations of Radical Intermediates Generated in One-Electron Reduction of Carbonates

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

Lithium Ion Battery Graphite Solid Electrolyte Interphase Revealed by Microscopy and Spectroscopy

(2013) Mengyun Nie et al.   Journal of Physical Chemistry C

Density Functional Theory Study on Structural and Energetic Characteristics of Graphite Intercalation Compounds

(2013) Ken Tasaki   Journal of Physical Chemistry C

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

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

Boron-based anion receptors in lithium-ion and metal-air batteries

(2013) V. Prakash Reddy et al.   JOURNAL OF POWER SOURCES

Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery

(2013) Keisuke Ushirogata et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab Initio Calculations of Thermal Decomposition Mechanism of LiPF6-Based Electrolytes for Lithium-Ion Batteries

(2013) Yasuharu Okamoto   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Modeling Electrochemical Decomposition of Fluoroethylene Carbonate on Silicon Anode Surfaces in Lithium Ion Batteries

(2013) Kevin Leung et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Physics towards next generation Li secondary batteries materials: A short review from computational materials design perspective

(2013) ChuYing Ouyang et al.   Science China-Physics Mechanics & Astronomy

Effect of sulfolane on the morphology and chemical composition of the solid electrolyte interphase layer in lithium bis(oxalato)borate-based electrolyte

(2013) Tao Yu et al.   SURFACE AND INTERFACE ANALYSIS

Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

(2013) Alejandro A. Franco   RSC Advances

Fluoropropane sultone as an SEI-forming additive that outperforms vinylene carbonate

(2013) Hyun Min Jung et al.   Journal of Materials Chemistry A

Lattice dynamics, thermodynamics and elastic properties of monoclinic Li2CO3 from density functional theory

(2012) Shun-Li Shang et al.   ACTA MATERIALIA

Two-electron reduction of ethylene carbonate: A quantum chemistry re-examination of mechanisms

(2012) Kevin Leung   CHEMICAL PHYSICS LETTERS

Solid Electrolyte Interphase in Li-Ion Batteries: Evolving Structures Measured In situ by Neutron Reflectometry

(2012) Jeanette E. Owejan et al.   CHEMISTRY OF MATERIALS

Stress development due to surface processes in graphite electrodes for Li-ion batteries: A first report

(2012) Amartya Mukhopadhyay et al.   ELECTROCHIMICA ACTA

Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries

(2012) Michael M. Thackeray et al.   Energy & Environmental Science

Theoretical Study of the Reductive Decomposition of Ethylene Sulfite: A Film-Forming Electrolyte Additive in Lithium Ion Batteries

(2012) Ermias Girma Leggesse et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF

(2012) Dmitry Bedrov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

(2012) Kevin Leung   Journal of Physical Chemistry C

Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics

(2012) P. Ganesh et al.   Journal of Physical Chemistry C

Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

(2012) Arthur von Wald Cresce et al.   Journal of Physical Chemistry C

Fracture and debonding in lithium-ion batteries with electrodes of hollow core–shell nanostructures

(2012) Kejie Zhao et al.   JOURNAL OF POWER SOURCES

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase

(2012) Siqi Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and Theoretical Investigation of Solid-Electrolyte-Interphase Formation Mechanisms on Glassy Carbon

(2012) Maureen Tang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Theory of SEI Formation in Rechargeable Batteries: Capacity Fade, Accelerated Aging and Lifetime Prediction

(2012) Matthew B. Pinson et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Electrolyte Solvation and Ionic Association

(2012) Daniel M. Seo et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

(2012) Daniel M. Seo et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Theoretical study of the reductive decomposition of 1,3-propane sultone: SEI forming additive in lithium-ion batteries

(2012) Ermias Girma Leggesse et al.   RSC Advances

Controlling the Lithiation-Induced Strain and Charging Rate in Nanowire Electrodes by Coating

(2011) Li Qiang Zhang et al.   ACS Nano

Ultrathin Multifunctional Oxide Coatings for Lithium Ion Batteries

(2011) Xingcheng Xiao et al.   ADVANCED MATERIALS

Lithium transport within the solid electrolyte interphase

(2011) Peng Lu et al.   ELECTROCHEMISTRY COMMUNICATIONS

Modeling detailed chemistry and transport for solid-electrolyte-interface (SEI) films in Li–ion batteries

(2011) Andrew M. Colclasure et al.   ELECTROCHIMICA ACTA

On the difference in cycling behaviors of lithium-ion battery cell between the ethylene carbonate- and propylene carbonate-based electrolytes

(2011) Ken Tasaki et al.   ELECTROCHIMICA ACTA

Thermodynamic analysis on energy densities of batteries

(2011) Chen-Xi Zu et al.   Energy & Environmental Science

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

Experimental and Theoretical Investigations of Dimethylacetamide (DMAc) as Electrolyte Stabilizing Additive for Lithium Ion Batteries

(2011) Mengqing Xu et al.   Journal of Physical Chemistry C

Electrical and Lithium Ion Dynamics in Three Main Components of Solid Electrolyte Interphase from Density Functional Theory Study

(2011) Y. C. Chen et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF6 Electrolyte near Graphite Surface as a Function of Electrode Potential

(2011) Jenel Vatamanu et al.   Journal of Physical Chemistry C

Low Li+ binding affinity: An important characteristic for additives to form solid electrolyte interphases in Li-ion batteries

(2011) Min Hee Park et al.   JOURNAL OF POWER SOURCES

Effect of electrolytes on the structure and evolution of the solid electrolyte interphase (SEI) in Li-ion batteries: A molecular dynamics study

(2011) Sang-Pil Kim et al.   JOURNAL OF POWER SOURCES

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

(2011) Kevin Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

(2011) Jiamei Yu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Kinetic Monte Carlo Simulation of Surface Heterogeneity in Graphite Anodes for Lithium-Ion Batteries: Passive Layer Formation

(2011) Ravi N. Methekar et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

In Situ Investigations of SEI Layer Growth on Electrode Materials for Lithium-Ion Batteries Using Spectroscopic Ellipsometry

(2011) M. A. McArthur et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ultrathin Direct Atomic Layer Deposition on Composite Electrodes for Highly Durable and Safe Li-Ion Batteries

(2010) Yoon Seok Jung et al.   ADVANCED MATERIALS

Improved Mechanical Integrity of ALD-Coated Composite Electrodes for Li-Ion Batteries

(2010) Leah A. Riley et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Experimental and theoretical investigations on 4,5-dimethyl-[1,3]dioxol-2-one as solid electrolyte interface forming additive for lithium-ion batteries

(2010) Mengqing Xu et al.   ELECTROCHIMICA ACTA

A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries

(2010) Pallavi Verma et al.   ELECTROCHIMICA ACTA

Density functional theory studies on the B-containing lithium salts

(2010) Jiayuan Huang et al.   IONICS

Li Ion Diffusion Mechanisms in Bulk Monoclinic Li2CO3 Crystals from Density Functional Studies

(2010) H. Iddir et al.   Journal of Physical Chemistry C

Computational Study on the Solubility of Lithium Salts Formed on Lithium Ion Battery Negative Electrode in Organic Solvents

(2010) Ken Tasaki et al.   Journal of Physical Chemistry C

The reductive mechanism of ethylene sulfite as solid electrolyte interphase film-forming additive for lithium ion battery

(2010) Lidan Xing et al.   JOURNAL OF POWER SOURCES

Investigation and application of lithium difluoro(oxalate)borate (LiDFOB) as additive to improve the thermal stability of electrolyte for lithium-ion batteries

(2010) Mengqing Xu et al.   JOURNAL OF POWER SOURCES

A review of the electrochemical performance of alloy anodes for lithium-ion batteries

(2010) Wei-Jun Zhang   JOURNAL OF POWER SOURCES

Differentiating Contributions to “Ion Transfer” Barrier from Interphasial Resistance and Li+Desolvation at Electrolyte/Graphite Interface

(2010) Kang Xu et al.   LANGMUIR

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

(2010) Kevin Leung et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomic Layer Deposition: An Overview

(2009) Steven M. George   CHEMICAL REVIEWS

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

Enhanced thermal properties of the solid electrolyte interphase formed on graphite in an electrolyte with fluoroethylene carbonate

(2009) Irina A. Profatilova et al.   ELECTROCHIMICA ACTA

First principles computational materials design for energy storage materials in lithium ion batteries

(2009) Ying Shirley Meng et al.   Energy & Environmental Science

Quantum Chemistry and Molecular Dynamics Simulation Study of Dimethyl Carbonate: Ethylene Carbonate Electrolytes Doped with LiPF6

(2009) Oleg Borodin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

High-throughput quantum chemistry and virtual screening for lithium ion battery electrolyte additives

(2009) Mathew D. Halls et al.   JOURNAL OF POWER SOURCES

Kinetics of Lithium Ion Transfer at the Interface between Graphite and Liquid Electrolytes: Effects of Solvent and Surface Film

(2009) Yuki Yamada et al.   LANGMUIR

The Solid Electrolyte Interphase – The Most Important and the Least Understood Solid Electrolyte in Rechargeable Li Batteries

(2009) Martin Winter   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Effects of 3,5-bis(trifluoromethyl)benzeneboronic acid as an additive on electrochemical performance of propylene carbonate-based electrolytes for lithium ion batteries

(2008) B. Wang et al.   ELECTROCHIMICA ACTA

Understanding the characteristics of high-voltage additives in Li-ion batteries: Solvent effects

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