Much of chemistry is concerned with the study of reactions and processes in solution, that is, where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
Optimizing the synergy between nanoporous carbons and ionic liquids can significantly enhance the energy density of supercapacitors. The highest energy density has been …
Molecular dynamics simulations with generic bead–spring models have been instrumental in revealing the molecular-scale behavior that underlies structure–property relationships of …
The microstructure of ionic liquids (ILs) has attracted much attention due to their relevance in physiochemical properties and behavior of ILs. The existence of clusters (or …
Integrating radical (open‐shell) species into non‐cryogenic nanodevices is key to unlocking the potential of molecular electronics. While many efforts have been devoted to this issue, in …
R Shi, Y Wang - Scientific Reports, 2016 - nature.com
Inherited the advantages of inorganic salts and organic solvents, ionic liquids (ILs) exhibit many superior properties allowing them promising green solvents for the future. Although it …
N Kumar, JM Seminario - The Journal of Physical Chemistry C, 2016 - ACS Publications
The performance of lithium-ion batteries is strongly dependent on the nature of the electrolyte, and a better understanding of the role of the electrolyte in ion transport and the …
Molecular simulations of the diffusion of EMIM+ and TFSI–ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only …
We perform molecular dynamics simulations on a set of ionomer melts in the presence of a static, external electric field. We employ the same coarse-grained bead–spring model from …