Two-Dimensional Y2C Electride: A Promising Anode Material for Na-Ion Batteries

被引：99

作者：

Hou, Jianhua ^{[1
,2
,3
]}

Tu, Kaixiong ^{[2
,3
]}

Chen, Zhongfang ^{[2
,3
]}

机构：

[1] Changchun Univ Sci & Technol, Sch Mat Sci & Engn, Changchun 130022, Peoples R China

[2] Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, Rio Piedras Campus, San Juan, PR 00931 USA

[3] Univ Puerto Rico, NASA URC Ctr Adv Nanoscale Mat, Rio Piedras Campus, San Juan, PR 00931 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2016年 / 120卷 / 33期

基金：

美国国家科学基金会;

关键词：

ELECTROCHEMICAL PROPERTIES; CYCLING STABILITY; RATE CAPABILITY; GRAPHENE OXIDE; SODIUM STORAGE; PERFORMANCE; CATHODE; LITHIUM; NANOSHEETS; CELL;

D O I：

10.1021/acs.jpcc.6b06087

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：

By means of first-principles computations, we explored the potential of using Y2C monolayer as anode material for rechargeable Na-ion batteries,(NIBs). As a two-dimensional electride material, Y2C monolayer is metallic and has a strong in-plane stiffness. Significant interactions between Y2C monolayer and Na atom ensure its high theoretical specific capacity of 564 mA.h/g. The Y2C monolayer also has high Na mobility and rather small average open-circuit voltages. All these characteristics suggest that the Y2C monolayer could be a promising anode material for NIBs.

引用

页码：18473 / 18478

页数：6

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