Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

We investigated the cathodic and anodic limits of six room-temperature ionic liquids (ILs) formed from a combination of two common cations, 1-butyl-3-methylimidazolium (BMIM) and N,N-propylmethylpyrrolidinium (P13), and three common anions, PF6, BF4, and bis(trifluoromethylsulfonyl)imide (TFSI), usi...

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Bibliographic Details
Main Authors: Ong, Shyue Ping (Contributor), Andreussi, Oliviero (Author), Wu, Yabi (Contributor), Marzari, Nicola (Author), Ceder, Gerbrand (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: American Chemical Society, 2012-07-12T16:09:22Z.
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