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, Andreussi, Oliviero, Wu, Yabi, Marzari, Nicola, Ceder, Gerbrand
Other Authors:	Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format:	Article
Language:	en_US
Published:	American Chemical Society 2012
Online Access:	http://hdl.handle.net/1721.1/71594

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