Santosh Mogurampelly

TL;DR: The results of atomistic molecular dynamics simulations informed by quantum-mechanically parametrized force fields demonstrate that anion transport in polyILs occurs through a mechanism involving intra- and intermolecular ion hopping through formation and breaking of ion-associations involving four polymerized cationic monomers bonded to two different polymer chains.

TL;DR: An overview of the progress and challenges involved with the modeling and simulation aspects of the ion transport properties of polymer membranes is presented and some salient work in the context of pure binary and single ion conducting polymer electrolytes, polymer nanocomposites, block copolymers, and ionic liquid-based hybrid electrolytes is discussed.

TL;DR: In this article, all-atom molecular dynamics simulations were used to study the effect of polymer polarity, as quantified by the dielectric constant, on the transport properties of lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) doped polyethers.

TL;DR: In this paper, the influence of Al2O3 nanoparticles on the transport properties of ions in polymer electrolytes composed of poly(ethylene oxide) (PEO) melt solvated with LiBF4 salt was studied.

TL;DR: In this paper, a quasi-solid Li+ ion conductive nanocomposite polymer electrolyte containing black phosphorous (BP) nanosheets is reported, which is successfully cycled against Li metal (over 550 h cycling) at 1 mA cm−2 at room temperature.