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Theoretical and Computational Chemistry

Working Paper

Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents

Agilio Padua, Kateryna Goloviznina, Margarida Costa Gomes, Zheng Gong

Version 4 posted 22 January 2021

1,428

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Energy

Working Paper

Transport Anomalies Emerging from Strong Correlation in Ionic Liquid Electrolytes

Nicola Molinari, Jonathan P. Mailoa, Nathan Craig, Jake Christensen, Boris Kozinsky

Version 1 posted 10 January 2019

566

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Physical Chemistry

Working Paper

Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations

Sharma Yamijala, Hyuna Kwon, Juchen Guo, Bryan Wong

Version 1 posted 02 February 2021

827

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Chemical Engineering and Industrial Chemistry

Working Paper

Prediction of the Osmotic/activity Coefficients of Alkali Hydroxide Electrolytes

Timothy Duignan, Xiu Song Zhao

Version 2 posted 08 September 2021

432

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Physical Chemistry

Working Paper

Surfactant Impurities Can Explain the Jones-Ray Effect

Timothy Duignan, Marcel Baer, Christopher Mundy

Version 3 posted 06 February 2018

1,279

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3

Citations

Materials Science

Working Paper

Transport Mechanisms Underlying Ionic Conductivity in Nanoparticle-Based Single-Ion Electrolytes

Sanket Kadulkar, Delia Milliron, Thomas Truskett, Venkat Ganesan

Version 2 posted 26 June 2020

923

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Analytical Chemistry

Working Paper

Sodium Bis(oxalato)borate (NaBOB) in Trimethyl Phosphate: A Fire-Extinguishing, Fluorine-Free, and Low-Cost Electrolyte for Full-Cell Sodium-Ion Batteries

Ronnie Mogensen, Simon Colbin, Ashok Menon, Erik Björklund, Reza Younesi

Version 1 posted 11 March 2020

1,304

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Theoretical and Computational Chemistry

Working Paper

Effects of Solvent-Salt Charge-Transfer Complexes on Oxidative Stability of Li-Ion Battery Electrolytes

Eric Fadel, Francesco Faglioni, Georgy Samsonidze, Nicola Molinari, Boris V. Merinov, William A. Goddard III, Jeffrey C. Grossman, Jonathan P. Mailoa, Boris Kozinsky

Version 1 posted 21 August 2018

851

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Physical Chemistry

Working Paper

The Jones-Ray Effect Is Not Caused by Surface Active Impurities

Halil I. Okur, Chad Drexler, Eric Tyrode, Paul S. Cremer, Sylvie Roke

Version 1 posted 26 September 2018

859

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Polymer Science

Working Paper

Ion Coordination and Chelation in a Glycolated Polymer Semiconductor: Molecular Dynamics and X-Ray Fluorescence Study

Micaela Matta, Ruiheng Wu, Bryan D. Paulsen, Anthony Petty, Rajendar Sheelamanthula, Iain McCulloch, George C Schatz, Jonathan Rivnay

Version 2 posted 12 May 2020

858

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Refine Search

27 results in Electrolytes in Keywords: Electrolytes

Extension of the CL&Pol Polarizable Force Field to Electrolytes, Protic Ionic Liquids and Deep Eutectic Solvents

Transport Anomalies Emerging from Strong Correlation in Ionic Liquid Electrolytes

Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations

Prediction of the Osmotic/activity Coefficients of Alkali Hydroxide Electrolytes

Surfactant Impurities Can Explain the Jones-Ray Effect

Transport Mechanisms Underlying Ionic Conductivity in Nanoparticle-Based Single-Ion Electrolytes

Sodium Bis(oxalato)borate (NaBOB) in Trimethyl Phosphate: A Fire-Extinguishing, Fluorine-Free, and Low-Cost Electrolyte for Full-Cell Sodium-Ion Batteries

Effects of Solvent-Salt Charge-Transfer Complexes on Oxidative Stability of Li-Ion Battery Electrolytes

The Jones-Ray Effect Is Not Caused by Surface Active Impurities

Ion Coordination and Chelation in a Glycolated Polymer Semiconductor: Molecular Dynamics and X-Ray Fluorescence Study

27 results in Keywords: Electrolytes