Sodium-Ion Battery Electrolytes: Modeling and Simulations

Modified Anion Packing of Na2B12H12 in Close to Room Temperature Superionic Conductors

(2017) Yolanda Sadikin et al.   INORGANIC CHEMISTRY

Extended Ensemble Approach to Transferable Potentials for Low-Resolution Coarse-Grained Models of Ionomers

(2017) Joseph F. Rudzinski et al.   Journal of Chemical Theory and Computation

Energetics of Na+Transport through the Electrode/Cathode Interface in Single Solvent Electrolytes

(2017) Katie L. Browning et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Theoretical Studies of the Reduction of Cyclic Esters on the Anode Interface of Lithium Batteries

(2017) Qi Liu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Effect of the cation on the stability of cation–glyme complexes and their interactions with the [TFSA]− anion

(2017) Seiji Tsuzuki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics study of the effect of tetraglyme plasticizer on dual-cation ionomer electrolytes

(2017) Xingyu Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Difference in chemical bonding between lithium and sodium salts: influence of covalency on their solubility

(2017) Su Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvation behavior of carbonate-based electrolytes in sodium ion batteries

(2017) Arthur V. Cresce et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Energetics of metal ion adsorption on and diffusion through crown ethers: First principles study on two-dimensional electrolyte

(2017) Wei-Hua Wang et al.   SOLID STATE IONICS

Fluorine-free electrolytes for all-solid sodium-ion batteries based on percyano-substituted organic salts

(2017) Anna Bitner-Michalska et al.   Scientific Reports

Concentrated Electrolyte for the Sodium-Oxygen Battery: Solvation Structure and Improved Cycle Life

(2016) Mingfu He et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Diffusion Mechanism of the Sodium-Ion Solid Electrolyte Na3PS4 and Potential Improvements of Halogen Doping

(2016) Niek J. J. de Klerk et al.   CHEMISTRY OF MATERIALS

Fundamental Mechanisms of Solvent Decomposition Involved in Solid-Electrolyte Interphase Formation in Sodium Ion Batteries

(2016) Hemant Kumar et al.   CHEMISTRY OF MATERIALS

Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li-based Batteries: Molecular Origins of the Conductivity Behavior

(2016) Jose Manuel Vicent-Luna et al.   CHEMPHYSCHEM

Influence of ion–ion correlation on Na+ transport in Na2Ni2TeO6: molecular dynamics study

(2016) Kartik Sau   IONICS

Solvation Structure and Concentration in Glyme-Based Sodium Electrolytes: A Combined Spectroscopic and Computational Study

(2016) Jessica Wahlers et al.   Journal of Physical Chemistry C

Dissociation and Diffusion of Glyme-Sodium Bis(trifluoromethanesulfonyl)amide Complexes in Hydrofluoroether-Based Electrolytes for Sodium Batteries

(2016) Shoshi Terada et al.   Journal of Physical Chemistry C

Thermal and Electrochemical Stability of Tetraglyme–Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability

(2016) Shoshi Terada et al.   Journal of Physical Chemistry C

Novel Na+ Ion Diffusion Mechanism in Mixed Organic–Inorganic Ionic Liquid Electrolyte Leading to High Na+ Transference Number and Stable, High Rate Electrochemical Cycling of Sodium Cells.

(2016) Maria Forsyth et al.   Journal of Physical Chemistry C

Towards safer sodium-ion batteries via organic solvent/ionic liquid based hybrid electrolytes

(2016) Damien Monti et al.   JOURNAL OF POWER SOURCES

Theoretical Analysis of Interactions between Potassium Ions and Organic Electrolyte Solvents: A Comparison with Lithium, Sodium, and Magnesium Ions

(2016) Masaki Okoshi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Elucidation of transport mechanism and enhanced alkali ion transference numbers in mixed alkali metal–organic ionic molten salts

(2016) Fangfang Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

(2016) Kieu My Bui et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ion-mediated charge transport in ionomeric electrolytes

(2016) Keran Lu et al.   Soft Matter

Polymer architecture effect on sodium ion transport in PSTFSI-based ionomers: A molecular dynamics study

(2016) Xingyu Chen et al.   SOLID STATE IONICS

Structural origin of the superionic Na conduction in Na2B10H10closo-borates and enhanced conductivity by Na deficiency for high performance solid electrolytes

(2016) Ziheng Lu et al.   Journal of Materials Chemistry A

Structural and Na-ion conduction characteristics of Na3PSxSe4−x

(2016) Shou-Hang Bo et al.   Journal of Materials Chemistry A

Understanding Ionic Conductivity Trends in Polyborane Solid Electrolytes from Ab Initio Molecular Dynamics

(2016) Joel B. Varley et al.   ACS Energy Letters

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

Composition and Evolution of the Solid-Electrolyte Interphase in Na2Ti3O7 Electrodes for Na-Ion Batteries: XPS and Auger Parameter Analysis

(2015) Miguel A. Muñoz-Márquez et al.   ACS Applied Materials & Interfaces

The Emerging Chemistry of Sodium Ion Batteries for Electrochemical Energy Storage

(2015) Dipan Kundu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational and Experimental Investigations of Na-Ion Conduction in Cubic Na3PSe4

(2015) Shou-Hang Bo et al.   CHEMISTRY OF MATERIALS

Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor

(2015) Zhuoying Zhu et al.   CHEMISTRY OF MATERIALS

Photopolymer Electrolytes for Sustainable, Upscalable, Safe, and Ambient-Temperature Sodium-Ion Secondary Batteries

(2015) Federico Bella et al.   ChemSusChem

Molecular Dynamics Modelling of Block-Copolymer Electrolytes with High t + Values

(2015) Heiki Kasemägi et al.   ELECTROCHIMICA ACTA

Unparalleled lithium and sodium superionic conduction in solid electrolytes with large monovalent cage-like anions

(2015) Wan Si Tang et al.   Energy & Environmental Science

Effect of Ionic Size on Solvate Stability of Glyme-Based Solvate Ionic Liquids

(2015) Toshihiko Mandai 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

Role of Ion–Ion Correlations on Fast Ion Transport: Molecular Dynamics Simulation of Na2Ni2TeO6

(2015) Kartik Sau et al.   Journal of Physical Chemistry C

Ion Transport in Na2M2TeO6: Insights from Molecular Dynamics Simulation

(2015) Kartik Sau et al.   Journal of Physical Chemistry C

Thermal and Transport Properties of Na[N(SO2F)2]–[N-Methyl-N-propylpyrrolidinium][N(SO2F)2] Ionic Liquids for Na Secondary Batteries

(2015) Kazuhiko Matsumoto et al.   Journal of Physical Chemistry C

Trends in Na-Ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First-Principles Calculations

(2015) Mehdi Shakourian-Fard et al.   Journal of Physical Chemistry C

Elastic Properties of Alkali Superionic Conductor Electrolytes from First Principles Calculations

(2015) Zhi Deng et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Physical properties of high Li-ion content N-propyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide based ionic liquid electrolytes

(2015) Hyungook Yoon et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polymers: Opening Doors to Future Batteries

(2015) John Muldoon et al.   Polymer Reviews

A sodium ion conducting gel polymer electrolyte

(2015) Y.Q. Yang et al.   SOLID STATE IONICS

Tuning SEI formation on nanoporous carbon–titania composite sodium ion batteries anodes and performance with subtle processing changes

(2015) Jeongwoo Lee et al.   RSC Advances

Theoretical prediction of a highly conducting solid electrolyte for sodium batteries: Na10GeP2S12

(2015) Vinay S. Kandagal et al.   Journal of Materials Chemistry A

Non-aqueous electrolytes for sodium-ion batteries

(2015) A. Ponrouch et al.   Journal of Materials Chemistry A

Poly(ethylene oxide)-based electrolytes for lithium-ion batteries

(2015) Zhigang Xue et al.   Journal of Materials Chemistry A

Controlling SEI Formation on SnSb-Porous Carbon Nanofibers for Improved Na Ion Storage

(2014) Liwen Ji et al.   ADVANCED MATERIALS

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

In Silico Based Rank-Order Determination and Experiments on Nonaqueous Electrolytes for Sodium Ion Battery Applications

(2014) Ganesh Kamath et al.   Journal of Physical Chemistry C

Sodium Ion Diffusion in Al2O3: A Distinct Perspective Compared with Lithium Ion Diffusion

(2014) Sung Chul Jung et al.   NANO LETTERS

Physicochemical properties of pentaglyme–sodium bis(trifluoromethanesulfonyl)amide solvate ionic liquid

(2014) Shoshi Terada et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Criteria for solvate ionic liquids

(2014) Toshihiko Mandai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of Lithium-Ion Transfer at the Interface between Li4Ti5O12 Thin Films and Organic Electrolytes

(2014) Y. Ishihara et al.   ECS Electrochemistry Letters

Towards high energy density sodium ion batteries through electrolyte optimization

(2013) Alexandre Ponrouch et al.   Energy & Environmental Science

Room-temperature stationary sodium-ion batteries for large-scale electric energy storage

(2013) Huilin Pan et al.   Energy & Environmental Science

Quantum-Chemical and Molecular Dynamics Study of M+[TOTO]− (M = Li, Na, K) Ionic Liquids

(2013) Andrzej Eilmes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Phase Diagrams and Solvate Structures of Binary Mixtures of Glymes and Na Salts

(2013) Toshihiko Mandai et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterization of sodium ion electrochemical reaction with tin anodes: Experiment and theory

(2013) Loïc Baggetto et al.   JOURNAL OF POWER SOURCES

Ionic liquid based electrolytes for sodium-ion batteries: Na+ solvation and ionic conductivity

(2013) Damien Monti et al.   JOURNAL OF POWER SOURCES

Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents

(2013) Masaki Okoshi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Fast Charge/Discharge of Li Metal Batteries Using an Ionic Liquid Electrolyte

(2013) H. Yoon et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Salt-Concentration Dependence of the Glass Transition Temperature in PEO–NaI and PEO–LiTFSI Polymer Electrolytes

(2013) Nicolaas A. Stolwijk et al.   MACROMOLECULES

Influence of Si/P ordering on Na+ transport in NASICONs

(2013) Supriya Roy et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Does decreasing ion–ion association improve cation mobility in single ion conductors?

(2013) Kan-Ju Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploring the role of ion solvation in ethylene oxide based single-ion conducting polyanions and polycations

(2013) Jing-Han Helen Wang et al.   Soft Matter

Scaling behavior and local structure of ion aggregates in single-ion conductors

(2013) Keran Lu et al.   Soft Matter

Influence of Cationic ordering on ion transport in NASICONs: Molecular dynamics study

(2013) Supriya Roy et al.   SOLID STATE IONICS

Bicontinuous structured silicon anode exhibiting stable cycling performance at elevated temperature

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

In search of an optimized electrolyte for Na-ion batteries

(2012) Alexandre Ponrouch et al.   Energy & Environmental Science

Na-ion batteries, recent advances and present challenges to become low cost energy storage systems

(2012) Verónica Palomares et al.   Energy & Environmental Science

Framework flexibility of sodium zirconium phosphate: role of disorder, and polyhedral distortions from Monte Carlo investigation

(2012) Supriya Roy et al.   JOURNAL OF MATERIALS SCIENCE

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

Dynamics of Model Ionomer Melts of Various Architectures

(2012) Lisa M. Hall et al.   MACROMOLECULES

Cation Coordination and Motion in a Poly(ethylene oxide)-Based Single Ion Conductor

(2012) Kan-Ju Lin et al.   MACROMOLECULES

Stable cycling of double-walled silicon nanotube battery anodes through solid–electrolyte interphase control

(2012) Hui Wu et al.   Nature Nanotechnology

Modern battery electrolytes: Ion–ion interactions in Li+/Na+ conductors from DFT calculations

(2012) Erlendur Jónsson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism of ion transport in PEO/LiTFSI complexes: Effect of temperature, molecular weight and end groups

(2012) D. Devaux et al.   SOLID STATE IONICS

Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries

(2012) Akitoshi Hayashi et al.   Nature Communications

Differences between polymer/salt and single ion conductor solid polymer electrolytes

(2012) Kan-Ju Lin et al.   RSC Advances

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

A New Family of Fast Sodium Ion Conductors: Na2M2TeO6(M = Ni, Co, Zn, Mg)

(2011) Maria A. Evstigneeva et al.   CHEMISTRY OF MATERIALS

New crystalline NaAsF6–PEO8 complex: A Density Functional Theory study

(2011) Anti Liivat   ELECTROCHIMICA ACTA

Structure and Energetics of Poly(Ethylene Glycol) Cationized by Li+, Na+, K+ and Cs+: A First-Principles Study

(2011) Antony Memboeuf et al.   EUROPEAN JOURNAL OF MASS SPECTROMETRY

Ionic Liquids: Past, present and future

(2011) C. Austen Angell et al.   FARADAY DISCUSSIONS

A comparative study of lithium and sodium salts in PAN-based ion conducting polymer electrolytes

(2010) Zurina Osman et al.   IONICS

Ion transport and ion–filler-polymer interaction in poly(methyl methacrylate)-based, sodium ion conducting, gel polymer electrolytes dispersed with silica nanoparticles

(2010) Deepak Kumar et al.   JOURNAL OF POWER SOURCES

Preferential interaction of charged alkali metal ions (guest) within a narrow cavity of cyclic crown ethers (neutral host): A quantum chemical investigation

(2009) Sulagna De et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Alkali metal crystalline polymer electrolytes

(2009) Chuhong Zhang et al.   NATURE MATERIALS

Ionic-liquid materials for the electrochemical challenges of the future

(2009) Michel Armand et al.   NATURE MATERIALS

Molecular interactions and vibrations in CH3(OCH2CH2)2OCH3–M+–X− (M=Li, Na, K and X=PF6, AsF6, SbF6): An ab initio study

(2008) Nilesh R. Dhumal et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Spectroscopic Identification of the Lithium Ion Transporting Species in LiTFSI-Doped Ionic Liquids

(2008) Jean-Claude Lassègues et al.   JOURNAL OF PHYSICAL CHEMISTRY A