Bidirectional regulation of configuration of the carbon nanotube containing a water droplet

Abstract

Carbon nanotube complexes are known for their miraculous mechanical and electronic properties that are crucial for nano-electromechanical systems (MEMS). In this study, through molecular dynamics simulations we found for the first time that the electric field and temperature can be used to co-regulate a reversible change of cross-sectional configuration of single-wall carbon nanotubes (SWCNTs). We showed that the electric field can help induce the collapse of an SWCNT when it contains a water droplet, while the increase of temperature can quickly recover its configuration. This controllable bistability of SWCNTs is promising for the design of nanodevices such as electromechanical switches in NEMS.

Energy Component Analysis of Electric Field-Induced Shape Change in Water Nanodroplets

“…13 While experimental and theoretical studies (including those mentioned above) of macro-and microscale water droplets in electric fields have a long history, more recently, advances in technology and science have increased the interest in nanoscale droplets of water. Not only is understanding the general behavior of nanodroplets important in fields such as atmosphere and climate modeling, 14 but more specifically, the dynamics of nanoscale water droplets in electric fields is proving to be of interest for applications as diverse as nanoelectromechanical systems 15 and petroleum dewatering. 16 An interesting question in this context is whether a nanosized droplet of discrete water molecules undergoes shape deformation and exhibits instability in externally applied electric fields as Taylor's macromechanical theory predicts.…”