Hu J, Liu X W, Pan B C
Hefei National Laboratory for Physical Sciences at Microscale, and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
Nanotechnology. 2008 Jul 16;19(28):285710. doi: 10.1088/0957-4484/19/28/285710. Epub 2008 Jun 3.
We present our calculations of the Young's modulus of ZnO nanowires and nanotubes by using the empirical Buckingham-type potential. Our results indicate that the Young's moduli of ZnO nanowires increase as the diameters decrease, and the Young's moduli of ZnO nanotubes increase as the thicknesses decrease. Furthermore, we find that such size-dependent elastic properties mainly arise from the lateral facets of the nanowires and nanotubes. In particular, for a ZnO nanotube with a thin wall, the Coulomb interaction between the ions of the outer and inner atomic layers plays an important role in the Young's moduli of the surface atomic layers.
我们通过使用经验性的Buckingham型势来展示我们对ZnO纳米线和纳米管杨氏模量的计算。我们的结果表明,ZnO纳米线的杨氏模量随着直径的减小而增加,ZnO纳米管的杨氏模量随着壁厚的减小而增加。此外,我们发现这种尺寸依赖性弹性特性主要源于纳米线和纳米管的侧面。特别地,对于具有薄壁的ZnO纳米管,外层和内层原子层离子之间的库仑相互作用在表面原子层的杨氏模量中起重要作用。