Two-Dimensional Tetragonal TiC Monolayer Sheet and Nanoribbons

被引：201

作者：

Zhang, Zhuhua ^{[1
,2
,3
]}

Liu, Xiaofei ^{[1
,2
]}

Yakobson, Boris I. ^{[3
]}

Guo, Wanlin ^{[1
,2
]}

机构：

[1] Nanjing Univ Aeronaut & Astronaut, State Key Lab Mech & Control Mech Struct, Key Lab Intelligent Nano Mat & Devices MoE, Nanjing 210016, Jiangsu, Peoples R China

[2] Nanjing Univ Aeronaut & Astronaut, Inst Nano Sci, Nanjing 210016, Jiangsu, Peoples R China

[3] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 134卷 / 47期

关键词：

MAGNETIC-PROPERTIES; GRAPHENE; CARBIDE; SILICON; GAS;

D O I：

10.1021/ja308576g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report a two dimensionl tetragonal Titanium Carbide (TiC) monolayer sheet with distinguished structure and properties based on comprehensive first-principles calculations. The TiC sheet exhibits a novel zigzag-shaped buckling structure with all atoms being quasiplanar tetracoordinate, as favored by strong in-plane C2p-Ti3d bonding and synergetic out electronic delocalization. This unique structure, endows the sheet with high kinetics stability and anisotropic mechanical properties. Moreover, the TiC sheet displays orientation dependent electronic properties derived from its special rectangular symmetry, with indirect band gap of similar to 0.2 eV and substantial ferromagnetism along its edges, thus promising for wide applications in nanoelectronics.

引用

页码：19326 / 19329

页数：4

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