The Influence of Anion Structure on the Ionic Liquids/Au (100) Interface by Molecular Dynamics Simulations

The microstructure of electrical double layers (EDLs) of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim]BF4), 1-butyl-3-methylimidazoliumhexafluorophosphate ([Bmim]PF6), and 1-butyl-3-methylimidazoliumbis (trifluoromethylsulfonyl) imide ([Bmim]TFSI) were studied by quantum chemical calculation and molecular dynamics simulation. For the set of ionic liquids investigated here, we found some interesting universal laws due to differences...