A super-stretchable boron nanoribbon network

被引:8
|
作者
Wang, Zhi-Qiang [1 ,2 ]
Cheng, Hao [1 ,2 ]
Lu, Tie-Yu [1 ,2 ]
Wang, Hui-Qiong [1 ,2 ]
Feng, Yuan Ping [4 ]
Zheng, Jin-Cheng [1 ,2 ,3 ,5 ]
机构
[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China
[2] Xiamen Univ, Collaborat Innovat Ctr Optoelect Semicond & Effic, Xiamen 361005, Peoples R China
[3] Xiamen Univ Malaysia, Sepang 439000, Selangor, Malaysia
[4] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore
[5] Xiamen Univ, Fujian Prov Key Lab Math Modeling & High Performa, Xiamen 361005, Peoples R China
基金
中国国家自然科学基金;
关键词
FULLY HYDROGENATED BOROPHENE; 1ST PRINCIPLES CALCULATIONS; MECHANICAL-PROPERTIES; ION BATTERIES; WORK FUNCTION; GRAPHENE; 1ST-PRINCIPLES; CONDUCTIVITY; PHOSPHORENE; PREDICTION;
D O I
10.1039/c8cp02257g
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
We have studied the mechanical properties of a two-dimensional (2D) boron nanoribbon network (BNRN) subjected to a uniaxial or a biaxial tensile strain using first principles calculations. The results show that the 2D BNRN is super-stretchable. The critical tensile strains of the BNRN in the chi-h1 phase along the a- and b-directions are 0.51 and 0.41, respectively, and that for the biaxial strain reaches an ultrahigh value of 0.84. By analyzing the B-B interatomic distance, coordination number and charge distribution, it is found that with increasing biaxial tensile strain, the chi-h1 BNRN undergoes two structural phase transitions, which are characterized by breaking of the B-B bonds and the partial transformation of the nanoribbon-like structures into chain-like structures. The strain-induced phase transitions significantly reduce the strain energy. We also discuss the elastic constants, Young's modulus, shear modulus, and Poisson's ratios. The super-stretchable and flexible mechanical properties of the BNRNs, together with their superior transport properties, make BNRNs useful in a wide range of applications in nanoscale electronic devices.
引用
收藏
页码:16510 / 16517
页数:8
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