Energetic Evolution of Single-Crystalline ZnO Nanowires and Nanotubes
Energetic Evolution of Single-Crystalline ZnO Nanowires and Nanotubes
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DOI：
10.1088/0256-307x/27/8/086105
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发表时间：
2010-08
影响因子：
3.5
通讯作者：
Li Li-Juan-Li;Zhao Ming-wen;Ji Yan-ju;Li-Qiang Feng;Liu Xiangdong
中科院分区：
文献类型：
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作者：
Li Li-Juan-Li;Zhao Ming-wen;Ji Yan-ju;Li-Qiang Feng;Liu Xiangdong
我们报告的纤锌矿氧化锌（w-ZnO）纳米线（NWs）和纳米管（NTs）的形成能与刻面形态，并表明，六方纳米线（h-NWs）是积极的优势，与菱形（r-），方形（s-），三角形（t-）的横截面的纳米线。纳米线的形成能与纳米线半径的倒数成正比，而单晶纳米管的形成能与纳米管壁厚的倒数成正比，与纳米管半径无关。一个简单的模型来解释这些功能。
We report the formation energies of wurtzite zinc oxide (w-ZnO) nanowires (NWs) and nanotubes (NTs) with faceted morphologies, and show that hexagonal NWs (h-NWs) are energetically advantageous over the NWs with rhombic (r-), squared (s-), and triangular (t-) cross sections. The formation energies of h-NWs are proportional to the inverse of wire radius, whereas those of single-crystalline NTs are proportional to the inverse of wall thickness, irrespectively to tube radius. A simple model is presented to interpret these features.