Title :
Nanorods self-assembled from polyaromatic compounds: A molecular dynamics study [1]
Author :
Cuiying Jian;Tian Tang
Author_Institution :
Department of Mechanical Engineering, University of Alberta, Edmonton, AB, T6G 2G8, Canada
Abstract :
In this work, we probed the self-assembly of polyaromatic (PA) compounds into one-dimensional (1D) nanorods, and addressed the effect of solvent and solute compositions on the self-assembly. Two kinds of solutes, a single type of PA compounds and a mixture of four types of PA compounds, were simulated in toluene, n-heptane and heptol (a mixture of toluene and n-heptane). Through analyzing the molecular geometries, the solution conditions that favor the formation of 1D nanorods were proposed.
Conference_Titel :
Nanotechnology Materials and Devices Conference (NMDC), 2015 IEEE
DOI :
10.1109/NMDC.2015.7439271
