Solvation Structure around Li+ Ions in Organic Carbonate Electrolytes: Spacer-Free Thin Cell IR Spectroscopy

Real-Time Reaction Monitoring with In Operando Flow NMR and FTIR Spectroscopy: Reaction Mechanism of Benzoxazole Synthesis

(2021) Yeongseok Chae et al.   ANALYTICAL CHEMISTRY

Why Does Dimethyl Carbonate Dissociate Li Salt Better Than Other Linear Carbonates? Critical Role of Polar Conformers

(2020) Hyejin Lee et al.   Journal of Physical Chemistry Letters

Molecular dynamics study of propylene carbonate based concentrated electrolyte solutions for lithium ion batteries

(2019) Mahesh Mynam et al.   JOURNAL OF MOLECULAR LIQUIDS

Establishment of Selection Rule for Hydrofluoroether as Electrolyte Co-solvent through Linear Free-Energy Relationship in Lithium-Sulfur Batteries

(2019) Chi-Cheung Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An ab initio molecular dynamics study of the solvation structure and ultrafast dynamics of lithium salts in organic carbonates: A comparison between linear and cyclic carbonates

(2019) Xiaoliu Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation Studies of Nonaqueous Lithium Ion Battery Electrolytes

(2019) Joonhyung Lim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach

(2019) Jia Du et al.   ACS Applied Materials & Interfaces

Structure and dynamics in the lithium solvation shell of nonaqueous electrolytes

(2019) Sungho Han   Scientific Reports

Internally Referenced DOSY-NMR: A Novel Analytical Method in Revealing the Solution Structure of Lithium-Ion Battery Electrolytes

(2018) Chi-Cheung Su et al.   Journal of Physical Chemistry Letters

Performance and cost of materials for lithium-based rechargeable automotive batteries

(2018) Richard Schmuch et al.   Nature Energy

Ionic Conduction and Solution Structure in LiPF6 and LiBF4 Propylene Carbonate Electrolytes

(2018) Sunwook Hwang et al.   Journal of Physical Chemistry C

Ion speciation of lithium hexafluorophosphate in dimethyl carbonate solutions: an infrared spectroscopy study

(2018) Kristen D. Fulfer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvation and Dynamics of Lithium Ions in Carbonate-Based Electrolytes during Cycling Followed by Operando Infrared Spectroscopy: The Example of NiSb2, a Typical Negative Conversion-Type Electrode Material for Lithium Batteries

(2017) Cyril Marino et al.   Journal of Physical Chemistry C

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

Revealing the Solvation Structure and Dynamics of Carbonate Electrolytes in Lithium-Ion Batteries by Two-Dimensional Infrared Spectrum Modeling

(2017) Chungwen Liang et al.   Journal of Physical Chemistry Letters

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

(2017) K. D. Fulfer 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

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

The Anion Effect on Li+ Ion Coordination Structure in Ethylene Carbonate Solutions

(2016) Bo Jiang et al.   Journal of Physical Chemistry Letters

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

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

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

Assessment of Recent Process Analytical Technology (PAT) Trends: A Multiauthor Review

(2015) Levente L. Simon et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Using PAT To Understand, Control, and Rapidly Scale Up the Production of a Hydrogenation Reaction and Isolation of Pharmaceutical Intermediate

(2014) Peter Hamilton et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

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

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

Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

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

Preferential Solvation of Li+ Directs Formation of Interphase on Graphitic Anode

(2011) Arthur von Cresce et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Continuum Solvation Models: What Else Can We Learn from Them?

(2010) Benedetta Mennucci   Journal of Physical Chemistry Letters

High-performance lithium-ion anodes using a hierarchical bottom-up approach

(2010) A. Magasinski et al.   NATURE MATERIALS

ReactIR Flow Cell: A New Analytical Tool for Continuous Flow Chemical Processing

(2010) Catherine F. Carter et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

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

Nitrosobenzene-Mediated C−C Bond Cleavage Reactions and Spectral Observation of an Oxazetidin-4-one Ring System

(2008) Joshua N. Payette et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Building better batteries

(2008) M. Armand et al.   NATURE