MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

被引：901

作者：

Li, Yafei ^{[1
]}

Zhou, Zhen ^{[1
]}

Zhang, Shengbai ^{[2
]}

Chen, Zhongfang ^{[2
,3
]}

机构：

[1] Nankai Univ, Inst New Energy Mat Chem, Inst Comp Sci, Tianjin 300071, Peoples R China

[2] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA

[3] Univ Puerto Rico, Dept Chem, Inst Funct Nanomat, San Juan, PR 00931 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 130卷 / 49期

关键词：

D O I：

10.1021/ja805545x

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

First-principles computations were carried out to predict the stability and magnetic and electronic properties of MoS2 nanoribbons with either zigzag- or armchair-terminated edges. Zigzag nanoribbons show the ferromagnetic and metallic behavior, irrespective of the ribbon width and thickness. Armchair nanoribbons are nonmagnetic and semiconducting, and the band gaps converge to a constant value of similar to 0.56 eV as the ribbon width increases. The higher stability Of MoS2 nanoribbons, compared with the experimentally available triangular MoS2 nanoclusters, invites the experimental realization of such novel ribbons in true nanoscale.

引用

页码：16739 / 16744

页数：6

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