Release Time:2019-03-13  Hits:

Indexed by: Journal Article

Date of Publication: 2016-08-01

Journal: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Included Journals: Scopus、EI、SCIE

Volume: 16

Issue: 8

Page Number: 8106-8112

ISSN: 1533-4880

Key Words: Li-Ion Battery; Graphite Oxide; Density Functional Theory

Abstract: Lithium-ion batteries (LIBs) are one of the most popular rechargeable batteries for portable electronics. Improving the performance of LIBs relies on the development of electrode materials of high energy and power densities. In this work, we investigate the electrochemical properties of graphite oxide (GO) as the electrode materials for LIBs using first-principles calculations. We find that epoxide and hydroxyl groups in GO can reversibly adsorb Li species. Depending on the oxidation level, GO exhibits large storage capacities up to 200 mAh/g and electrode potentials as much as 4.9 V, rendering GO a promising cathode material for LIBs. Moreover, the oxygen-containing groups facilitate the diffusion of Li species in-between the graphene oxide layers, which contributes to a high power density for GO cathodes.