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论文类型：期刊论文

发表时间：2016-08-01

发表刊物：JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

收录刊物：SCIE、EI、Scopus

卷号：16

期号：8

页面范围：8106-8112

ISSN号：1533-4880

关键字：Li-Ion Battery; Graphite Oxide; Density Functional Theory

摘要：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.