Coarse-grained molecular dynamics simulations using explicit solvent models were
performed to understand Nafion ionomer morphology in 1-propanol (NPA)/water solutions …

Coarse-grained molecular dynamics simulations were performed to understand the
morphological evolution and adsorption mechanism of Nafion ionomers from the aqueous …

Coarse-grained molecular dynamics simulations were performed to understand the
evolution of ionomer morphologies in solutions during solvent evaporation. To reproduce …

The self‐assembly of Nafion ionomer in a mixture of 1‐propanol (NPA) and water was
investigated using coarse‐grained molecular dynamics simulations. Ionomer formation into …

The effects of water nanochannel diameter on proton transport pathways and properties
have been studied using reactive molecular dynamics simulations. The proton distributions …

Molecular dynamics simulations are performed to investigate the nucleation and growth of
cavities in a hydrated Nafion membrane under mechanical deformation. The simulation …

In this study, we performed reactive molecular dynamics simulations to characterize proton
solvation and transport in concentrated hydrochloric acid solutions. The correlation …

Atomistic analysis of the ion transport in polymer electrolytes for all-solid-state Li-ion
batteries was performed using molecular dynamics simulations to investigate the …

This research focuses on improving direct methanol fuel cell (DMFC) performance by using
graphene based materials in their membrane electrode assembly (MEA). The main …

We analyzed the transport properties of cerium ions, which are added to improve the
chemical durability of a polymer electrolyte membrane (PEM), using molecular dynamics …