A comparison of the solvation structure and dynamics of the lithium ion in linear organic carbonates with different alkyl chain lengths

Spectroscopic and Density Functional Theory Characterization of Common Lithium Salt Solvates in Carbonate Electrolytes for Lithium Batteries

(2017) Navid Chapman et al.   Journal of Physical Chemistry C

Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery

(2017) Kyung-Koo Lee et al.   Nature Communications

Solvation Structure and Dynamics of the Lithium Ion in Organic Carbonate-Based Electrolytes: A Time-Dependent Infrared Spectroscopy Study

(2016) Kristen D. Fulfer et al.   Journal of Physical Chemistry C

Dual-Carbon Battery Using High Concentration LiPF6in Dimethyl Carbonate (DMC) Electrolyte

(2016) Seiji Miyoshi et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

(2016) Oleg Borodin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Superconcentrated electrolytes for a high-voltage lithium-ion battery

(2016) Jianhui Wang et al.   Nature Communications

Solvation of lithium ion in dimethoxyethane and propylene carbonate

(2015) Vitaly Chaban   CHEMICAL PHYSICS LETTERS

Coordination of lithium ion with ethylene carbonate electrolyte solvent: A computational study

(2015) Wenhui Ding et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Phase diagrams and conductivity of lithium salt systems in dimethyl sulfoxide, propylene carbonate and dimethyl carbonate

(2015) S.A. Kirillov et al.   JOURNAL OF MOLECULAR LIQUIDS

Solvation of the fluorine containing anions and their lithium salts in propylene carbonate and dimethoxyethane

(2015) Vitaly Chaban   JOURNAL OF MOLECULAR MODELING

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

(2015) Mitchell T. Ong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Mixed Solvation and Ion Pairing in the Solution Structure of Lithium Ion Battery Electrolytes

(2015) Daniel M. Seo et al.   Journal of Physical Chemistry C

Li+ Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate Electrolytes

(2015) Ioannis Skarmoutsos et al.   Journal of Physical Chemistry C

Solvation Structure around the Li+ Ion in Mixed Cyclic/Linear Carbonate Solutions Unveiled by the Raman Noncoincidence Effect

(2015) Maria Grazia Giorgini et al.   Journal of Physical Chemistry Letters

Flammability of Li-Ion Battery Electrolytes: Flash Point and Self-Extinguishing Time Measurements

(2015) S. Hess et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Review—Superconcentrated Electrolytes for Lithium Batteries

(2015) Yuki Yamada et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Li-ion battery materials: present and future

(2015) Naoki Nitta et al.   Materials Today

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

Structure and Dynamics of Ferrocyanide and Ferricyanide Anions in Water and Heavy Water: An Insight by MD Simulations and 2D IR Spectroscopy

(2014) Giacomo Prampolini et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A salt-bridge structure in solution revealed by 2D-IR spectroscopy

(2014) Adriana Huerta-Viga et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational dynamics of a non-degenerate ultrafast rotor: The (C12,C13)-oxalate ion

(2013) Daniel G. Kuroda et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Process Tomography Quantifies Coherence Transfer Dynamics in Vibrational Exciton

(2013) Lev Chuntonov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An Ion’s Perspective on the Molecular Motions of Nanoconfined Water: A Two-Dimensional Infrared Spectroscopy Study

(2013) Prabhat K. Singh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Solution Structure in Solid Electrolyte Interphase Formation on Graphite with LiPF6 in Propylene Carbonate

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

Understanding Li+–Solvent Interaction in Nonaqueous Carbonate Electrolytes with 17O NMR

(2013) Xavier Bogle et al.   Journal of Physical Chemistry Letters

Electrochemical investigation of carbonate-based electrolytes for high voltage lithium-ion cells

(2013) Libo Hu et al.   JOURNAL OF POWER SOURCES

FTIR spectroscopic studies of lithium tetrafluoroborate in propylene carbonate+diethyl carbonate mixtures

(2013) Binbin Zhang et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Differential Hydration of Tricyanomethanide Observed by Time Resolved Vibrational Spectroscopy

(2012) Daniel G. Kuroda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Free-Energy and Structural Analysis of Ion Solvation and Contact Ion-Pair Formation of Li+ with BF4– and PF6– in Water and Carbonate Solvents

(2012) Munetaka Takeuchi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

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

Dynamic structures of aqueous oxalate and the effects of counterions seen by 2D IR

(2012) Daniel G. Kuroda et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional theory calculations for the interaction of Li+ cations and PF6– anions with nonaqueous electrolytes

(2011) Mahesh Datt Bhatt et al.   CANADIAN JOURNAL OF CHEMISTRY

Two-dimensional infrared spectral signature and hydration of the oxalate dianion

(2011) Daniel G. Kuroda et al.   JOURNAL OF CHEMICAL PHYSICS

Identification of Arginine Residues in Peptides by 2D-IR Echo Spectroscopy

(2011) Ayanjeet Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Microscopic Structure and Dynamics of LiBF4Solutions in Cyclic and Linear Carbonates

(2011) O. O. Postupna et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-Ion Batteries from ab initio Molecular Dynamics

(2011) P. Ganesh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Utilizing Lifetimes to Suppress Random Coil Features in 2D IR Spectra of Peptides

(2011) Chris T. Middleton et al.   Journal of Physical Chemistry Letters

Conduction of Li+ cations in ethylene carbonate (EC) and propylene carbonate (PC): comparative studies using density functional theory

(2011) Mahesh Datt Bhatt et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Residue-Specific Vibrational Echoes Yield 3D Structures of a Transmembrane Helix Dimer

(2011) A. Remorino et al.   SCIENCE

Interaction of Li+ ions with ethylene carbonate (EC): Density functional theory calculations

(2010) Mahesh Datt Bhatt et al.   APPLIED SURFACE SCIENCE

Ultrafast relaxation and 2D IR of the aqueous trifluorocarboxylate ion

(2010) Daniel G. Kuroda et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of solvation in lithium ion battery electrolytes by NMR spectroscopy

(2010) Li Yang et al.   JOURNAL OF MOLECULAR LIQUIDS

Water-Induced Relaxation of a Degenerate Vibration of Guanidinium Using 2D IR Echo Spectroscopy

(2010) Dmitriy Yu. Vorobyev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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