Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
Published 2019 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes
Authors
Keywords
-
Journal
Nature Communications
Volume 10, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2019-07-26
DOI
10.1038/s41467-019-11317-3
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- General Trend of a Negative Li Effective Charge in Ionic Liquid Electrolytes
- (2019) Nicola Molinari et al. Journal of Physical Chemistry Letters
- Transport anomalies emerging from strong correlation in ionic liquid electrolytes
- (2019) Nicola Molinari et al. JOURNAL OF POWER SOURCES
- Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO–LiTFSI
- (2018) Nicola Molinari et al. CHEMISTRY OF MATERIALS
- Electrochemical potential window of battery electrolytes: the HOMO–LUMO misconception
- (2018) Pekka Peljo et al. Energy & Environmental Science
- Factors affecting cyclic durability of all-solid-state lithium batteries using poly(ethylene oxide)-based polymer electrolytes and recommendations to achieve improved performance
- (2018) Francesco Faglioni et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Oxidation Decomposition Mechanism of Fluoroethylene Carbonate-Based Electrolytes for High-Voltage Lithium Ion Batteries: A DFT Calculation and Experimental Study
- (2017) Lan Xia et al. ChemistrySelect
- Importance of Reduction and Oxidation Stability of High Voltage Electrolytes and Additives
- (2016) Samuel A. Delp et al. ELECTROCHIMICA ACTA
- Molecular Model for HNBR with Tunable Cross-Link Density
- (2016) N. Molinari et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Free Energies of Redox Half-Reactions from First-Principles Calculations
- (2016) Ruslan N. Tazhigulov et al. Journal of Physical Chemistry Letters
- Role of PF 6 − in the radiolytical and electrochemical degradation of propylene carbonate solutions
- (2016) Daniel Ortiz et al. JOURNAL OF POWER SOURCES
- Self-interaction error in DFT-based modelling of ionic liquids
- (2016) Isabel Lage-Estebanez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Electrolyte Genome project: A big data approach in battery materials discovery
- (2015) Xiaohui Qu et al. COMPUTATIONAL MATERIALS SCIENCE
- Ab Initio Characterization of the Electrochemical Stability and Solvation Properties of Condensed-Phase Ethylene Carbonate and Dimethyl Carbonate Mixtures
- (2015) Taylor A. Barnes et al. Journal of Physical Chemistry C
- Electrode–Electrolyte Interface in Li-Ion Batteries: Current Understanding and New Insights
- (2015) Magali Gauthier et al. Journal of Physical Chemistry Letters
- Computational comparison of oxidation stability: Solvent/salt monomers vs solvent–solvent/salt pairs
- (2015) Dong Young Kim et al. JOURNAL OF POWER SOURCES
- Towards high throughput screening of electrochemical stability of battery electrolytes
- (2015) Oleg Borodin et al. NANOTECHNOLOGY
- Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties
- (2015) Tamara Husch et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes
- (2015) Mahesh Datt Bhatt et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density Functional Theory Based Study of the Electron Transfer Reaction at the Lithium Metal Anode in a Lithium–Air Battery with Ionic Liquid Electrolytes
- (2014) Saeed Kazemiabnavi et al. Journal of Physical Chemistry C
- Computational electrochemistry: prediction of liquid-phase reduction potentials
- (2014) Aleksandr V. Marenich et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods
- (2014) Martin Korth PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes
- (2013) Oleg Borodin et al. Journal of Physical Chemistry C
- Quantum chemistry study of the oxidation-induced stability and decomposition of propylene carbonate-containing complexes
- (2013) Yating Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
- (2012) Debashree Ghosh et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries
- (2012) Kevin Leung Journal of Physical Chemistry C
- Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
- (2012) Christopher Adriaanse et al. Journal of Physical Chemistry Letters
- Oxidation induced decomposition of ethylene carbonate from DFT calculations – importance of explicitly treating surrounding solvent
- (2012) Lidan Xing et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations
- (2011) Shyue Ping Ong et al. CHEMISTRY OF MATERIALS
- Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate
- (2011) Lidan Xing et al. JOURNAL OF PHYSICAL CHEMISTRY A
- The ORCA program system
- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
- (2010) M. Valiev et al. COMPUTER PHYSICS COMMUNICATIONS
- Factors affecting cyclic durability of all-solid-state lithium polymer batteries using poly(ethylene oxide)-based solid polymer electrolytes
- (2010) Masanobu Nakayama et al. Energy & Environmental Science
- Capacity Fading Mechanism in All Solid-State Lithium Polymer Secondary Batteries Using PEG-Borate/Aluminate Ester as Plasticizer for Polymer Electrolytes
- (2009) Fuminari Kaneko et al. ADVANCED FUNCTIONAL MATERIALS
- Challenges for Rechargeable Li Batteries†
- (2009) John B. Goodenough et al. CHEMISTRY OF MATERIALS
- Insights into Current Limitations of Density Functional Theory
- (2008) A. J. Cohen et al. SCIENCE
- A Classical Point Charge Model Study of System Size Dependence of Oxidation and Reorganization Free Energies in Aqueous Solution†
- (2007) Regla Ayala et al. JOURNAL OF PHYSICAL CHEMISTRY B
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationPublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More