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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Veröffentlicht in:	Chemistry of materials 2011-06, Vol.23 (11), p.2979-2986
Hauptverfasser:	Ong, Shyue Ping, Andreussi, Oliviero, Wu, Yabi, Marzari, Nicola, Ceder, Gerbrand
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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