Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
Aston University
Ion interactions with the carbon nanotube surface in aqueous solutions : understanding the molecular mechanisms
The paper introduces a novel method for molecular simulation of carbon nanotubes in water. It led to EU grants (HPC-EUROPA2 Project# 228398 with 60000 hours supercomputer time, TeLaSens FP7 Marie Curie IRSES Project#269271, €270K), further papers (DOI: 10.1039/C1CP21440C and DOI: 10.1039/C1SC00232E), and oral presentations at 241st and 242nd National Meeting of American Chemical Society. Results have been used (Prof S Patel University of Delaware, Prof G. N. Sastry Indian Institute of Chemical Technology, Dr J Vatamanu University of Utah) to explain magnetic and electro-chemical phenomena in carbon nanotube solutions. Potential applications are in sensors, super capacitors and solar cells.