A high-performance anode material based on FeMnO3/graphene composite

被引：41

作者：

Bin, Heng ^{[1
]}

Yao, Zhenpeng ^{[2
]}

Zhu, Shenmin ^{[1
]}

Zhu, Chengling ^{[1
]}

Pan, Hui ^{[1
]}

Chen, Zhixin ^{[3
]}

Wolverton, Chris ^{[2
]}

Zhang, Di ^{[1
]}

机构：

[1] Shanghai Jiao Tong Univ, State Key Lab Met Matrix Composites, 800 Dongchuan Rd, Shanghai 200240, Peoples R China

[2] Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA

[3] Univ Wollongong, Sch Mech Mat & Mechatron Engn, Wollongong, NSW 2522, Australia

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2017年 / 695卷

基金：

美国国家科学基金会;

关键词：

Manganese-based oxide; Anode; Graphene; Li-ion battery; First principles calculations; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; LITHIUM-ION BATTERIES; LONG CYCLE LIFE; FACILE SYNTHESIS; RATIONAL DESIGN; NANOPARTICLES; SPECTRA; CARBON; OXIDE;

D O I：

10.1016/j.jallcom.2016.10.249

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Transition metal oxides are attractive as anode materials in lithium-ion batteries for their high theoretical capacity and good performance. In this work, an anode material based on manganese-based oxide FeMnO3 in LIBs is investigated for the first time. FeMnO3 is prepared with graphene and the FeMnO3/graphene composite exhibits a high discharge capacity of 1155.3 mAh g(-1) after 300 cycles at 200 mA g(-1), as well as a superior rate performance of 851.7 mAh g(-1) at a current density of 3200 mA g(-1). The observed extraordinary performance is believed to be attributed to the combination of the intrinsically high capacity of FeMnO3, a large surface area of 89.65 m(2) g(-1) and good electrical conductivity of the FeMnO3/graphene composite. To help clarify the properties of this new material, we employ first principles calculations to determine the structural stability, electronic structure, and Li ion diffusivity of FeMnO3. The calculations show that FeMnO3 has a relatively low band gap (an indication of reasonable electrical conductivity) and Li ions exhibit a large room temperature diffusivity in FeMnO3. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：1223 / 1230

页数：8

共 60 条

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