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In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular… (More)
Atomic force microscopy (AFM) force measurements have been used to study the solvate ionic liquid (IL) double layer nanostructure at highly ordered pyrolytic graphite (HOPG) and Au(111) electrode surfaces as a function of potential. Two solvate ILs are investigated, [Li(G4)] TFSI and [Li(G4)] NO3. Normal force versus apparent separation data indicates that… (More)
Figure S1. Comparison of binding energies (kcal/mol per ion pair) for propylammonium nitrate (PAN) and butyl ammonium nitrate (BAN) clusters, as a function of cluster size, computed with DFTB3-D and M06-2XS/6-311G(d,p).
Deep eutectic solvents (DESs) are a mixture of a salt and a molecular hydrogen bond donor, which form a eutectic liquid with a depressed melting point. Quantum mechanical molecular dynamics (QM/MD) simulations have been used to probe the 1 : 2 choline chloride-urea (ChCl : U), choline chloride-ethylene glycol (ChCl : EG) and choline chloride-glycerol (ChCl… (More)