Microscopic Elucidation of Solid‐electrolyte Interphase (SEI) Film Formation via Atomistic Reaction Simulations: Importance of Functional Groups of Electrolyte and Intact Additive Molecules

Microscopic Formation Mechanism of Solid Electrolyte Interphase Film in Lithium-Ion Batteries with Highly Concentrated Electrolyte

(2018) Norio Takenaka et al.   Journal of Physical Chemistry C

Fluoroethylene Carbonate as a Directing Agent in Amorphous Silicon Anodes: Electrolyte Interface Structure Probed by Sum Frequency Vibrational Spectroscopy and Ab Initio Molecular Dynamics

(2018) Yonatan Horowitz et al.   NANO LETTERS

Fluoroethylene Carbonate Induces Ordered Electrolyte Interface on Silicon and Sapphire Surfaces as Revealed by Sum Frequency Generation Vibrational Spectroscopy and X-ray Reflectivity

(2018) Yonatan Horowitz et al.   NANO LETTERS

Concentration Effect of Fluoroethylene Carbonate on the Formation of Solid Electrolyte Interphase Layer in Sodium-Ion Batteries

(2018) Amine Bouibes et al.   ACS Applied Materials & Interfaces

Red Moon methodology compatible with quantum mechanics/molecular mechanics framework: Application to solid electrolyte interphase film formation in lithium-ion battery system

(2018) Takuya Fujie et al.   JOURNAL OF CHEMICAL PHYSICS

A transformation theory of stochastic evolution in Red Moon methodology to time evolution of chemical reaction process in the full atomistic system

(2017) Yuichi Suzuki et al.   JOURNAL OF CHEMICAL PHYSICS

Review—SEI: Past, Present and Future

(2017) E. Peled et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

Additive effect of fluoroethylene and difluoroethylene carbonates for the solid electrolyte interphase film formation in sodium-ion batteries: a quantum chemical study

(2016) Uppula Purushotham et al.   RSC Advances

Effect of Hexafluorophosphate and Fluoroethylene Carbonate on Electrochemical Performance and the Surface Layer of Hard Carbon for Sodium-Ion Batteries

(2016) Mouad Dahbi et al.   ChemElectroChem

Influence of Monomer Mixing Ratio on Membrane Nanostructure in Interfacial Polycondensation: Application of Hybrid MC/MD Reaction Method with Minimum Bond Convention

(2015) Yuichi Suzuki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids

(2015) K. G. Sprenger et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Computational Chemical Insight into Microscopic Additive Effect on Solid Electrolyte Interphase Film Formation in Sodium-Ion Batteries: Suppression of Unstable Film Growth by Intact Fluoroethylene Carbonate

(2015) Norio Takenaka et al.   Journal of Physical Chemistry C

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Research Development on Sodium-Ion Batteries

(2014) Naoaki Yabuuchi et al.   CHEMICAL REVIEWS

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

A hybrid MC/MD reaction method with rare event-driving mechanism: Atomistic realization of 2-chlorobutane racemization process in DMF solution

(2013) Masataka Nagaoka et al.   CHEMICAL PHYSICS LETTERS

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

Discharge/charge reaction mechanism of a pyrite-type FeS 2 cathode for sodium secondary batteries

(2013) Ayuko Kitajou 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

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

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

Bicontinuous structured silicon anode exhibiting stable cycling performance at elevated temperature

(2013) Myung-Jin Chun et al.   RSC Advances

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

Li Ion Cells Comprising Lithiated Columnar Silicon Film Anodes, TiS2Cathodes and Fluoroethyene Carbonate (FEC) as a Critically Important Component

(2012) Ran Elazari et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Fluorinated Ethylene Carbonate as Electrolyte Additive for Rechargeable Na Batteries

(2011) Shinichi Komaba et al.   ACS Applied Materials & Interfaces

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries

(2011) Shinichi Komaba et al.   ADVANCED FUNCTIONAL MATERIALS

Investigation of the Solid Electrolyte Interphase Formed by Fluoroethylene Carbonate on Si Electrodes

(2011) Hideki Nakai et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A new battery-charging method suggested by molecular dynamics simulations

(2010) Ibrahim Abou Hamad et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Whether EC and PC Differ in Interphasial Chemistry on Graphitic Anode and How

(2009) Kang Xu   JOURNAL OF THE ELECTROCHEMICAL SOCIETY