Electronic Structure and Thermoelectric Properties of ZnO Single-Walled Nanotubes and Nanowires

摘要：

　　Based on ab initio electronic structure calculations and Boltzmann transport theory, the size dependence of thermoelectric properties of ZnO single-walled nanotubes(SWNTs) and nanowires was investigated.There is an optimal carrier concentration yielding the maximum value of ZT at room temperature.The optimal carrier concentration and the maximum value of ZT depend on the diameters and structure of ZnO.The maximum value of ZT for ZnO SWNTs are remarkably higher than that of ZnO nanowires.The 9.60(A) ZnO SWNT possess the highest ZT value, 0.322, which is nearly 3-fold higher than that of best experimental samples at room temperature.

关键词： Thermoelectric properties Nanotubes Nanowires Electronic structure

作者: Chao Wang Yuanxu Wang Guangbiao Zhang Chengxiao Peng

会议类型: 国内会议

会议名称: 2014年全国博士后新材料技术与应用学术论坛

会议地点: 宁波

会议语种:英文

页码: 871-885

在线出版日期: 2014-11-11（万方平台首次上网日期，不代表论文的发表时间）