摘要
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.
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.
基金
Supported by the National Natural Science Foundation of China under Grant Nos 10974119 and 10675075, the National Basic Research Program of China under Grant No 2005CB623602, and the Research Fund for Young Scientists in Shandong Province under Grant No 2006BSB01447.
