Enhancement of Adsorption and Diffusion of Lithium in Single-Walled Carbon Nanotubes by External Electric Field

Shi, Wenwu, Wang, Zhiguo and Fu, Yong Qing (2016) Enhancement of Adsorption and Diffusion of Lithium in Single-Walled Carbon Nanotubes by External Electric Field. Journal of Nanoparticle Research, 18 (11). p. 325. ISSN 1388-0764

[img] Text
Revision_NANO-D-16-00316.docx - Accepted Version
Restricted to Repository staff only until 9 November 2017.

Download (992kB)
Official URL: http://dx.doi.org/10.1007/s11051-016-3623-7

Abstract

Effects of an external transverse electric field on adsorption and diffusion of Li atoms on the single-walled carbon nanotubes (CNTs) were investigated using density functional theory. Results showed that the adsorption energy was significantly enhanced by applying the electric field. As the external electric field was increased from 0.0 to 0.6 V/Å, the adsorption energies were decreased from -1.37 to -2.31 eV, -1.32 to -2.46 eV and -1.33 to -2.63 eV for the Li atoms adsorbed on (6,6), (8,8) and (10,10) CNTs, respectively. Meanwhile, the diffusion barriers of the Li atoms on the CNTs were also decreased as the external electric field was applied. When the external electric field was increased from 0.0 to 0.6 V/Å, the energy barriers were decreased from 0.42, 0.40 and 0.39 eV to 0.20, 0.17 and 0.15 eV for the Li diffusion in the (6,6), (8,8) and (10,10) CNTs, respectively. The results proved that an external electric field can be applied to enhance the adsorption and diffusion of Li atoms on the CNTs (used as the anode) for lithium ion batteries.

Item Type: Article
Uncontrolled Keywords: External transverse electric field; Energy barrier; Adsorption energy; CNTs
Subjects: H600 Electronic and Electrical Engineering
Department: Faculties > Engineering and Environment > Physics and Electrical Engineering
Depositing User: Paul Burns
Date Deposited: 17 Oct 2016 11:05
Last Modified: 06 Sep 2017 14:08
URI: http://nrl.northumbria.ac.uk/id/eprint/28020

Actions (login required)

View Item View Item

Downloads

Downloads per month over past year

View more statistics


Policies: NRL Policies | NRL University Deposit Policy | NRL Deposit Licence