Structural and electronic properties of ZnO nanotubes from density functional calculations

Hu Xu; R Q Zhang; Xiaohong Zhang

首页> 外文期刊>Nanotechnology >Structural and electronic properties of ZnO nanotubes from density functional calculations

【24h】

Structural and electronic properties of ZnO nanotubes from density functional calculations

机译：基于密度泛函计算的ZnO纳米管的结构和电子性质

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The structural and electronic properties of armchair and zigzag ZnO nanotubes were studied using density functional theory with the generalized gradient approximation. It was found that the strain energy required for rolling a ZnO graphitic sheet into a tube is lower than those for BN and GaN nanotubes. Both the armchair and zigzag ZnO nanotubes were found to be direct gap semiconductors with the gaps decreasing with the diameter increase.

机译：使用密度泛函理论和广义梯度近似研究了扶手椅形和之字形ZnO纳米管的结构和电子性能。已经发现，将ZnO石墨片卷成管所需的应变能低于BN和GaN纳米管的应变能。发现扶手椅状和之字形的ZnO纳米管都是直接间隙半导体，其间隙随着直径的增加而减小。

著录项

来源
《Nanotechnology》 |2007年第48期|共6页
作者
Hu Xu; R Q Zhang; Xiaohong Zhang;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类一般工业技术;
关键词

相似文献

外文文献
中文文献
专利

1. Structural and electronic properties of ZnO nanotubes from density functional calculations [J] . Xu H, Zhang RQ, Zhang XH, Nanotechnology . 2007,第48期

机译：基于密度泛函计算的ZnO纳米管的结构和电子性质
2. Density functional investigation of structural, electronic and magnetic properties of Cu-codoped ZnO nanotubes [J] . Nia Borhan Arghavani, Shahrokhi Masoud, Moradian Rostam, The European physical journal. Applied physics . 2014,第2期

机译：铜掺杂ZnO纳米管的结构，电子和磁性的密度泛函研究
3. Electronic and structural properties of ultrathin tungsten nanowires and nanotubes by density functional theory calculation [J] . Sun Shih-Jye, Lin Ken-Huang, Ju Shin-Pon, Journal of Applied Physics . 2014,第13期

机译：超薄钨纳米线和纳米管的电子和结构特性的密度泛函理论计算
4. The structural and electronic properties of amine-functionalized boron nitride nanotubes via ammonia plasmas: a density functional theory study [C] . Fenglei Cao, Wei Ren, Yue-meng Ji, ICMSI;International conference of molecular simulations and applied informatics technologies . 2010

机译：通过氨等离子体的胺官能化氮化硼纳米管的结构和电子性质：密度泛函理论研究
5. Electronic structure calculations of double walled carbon nanotubes using local density functional theory. [D] . Landis, Benjamin A. 2006

机译：使用局部密度泛函理论计算双壁碳纳米管的电子结构。
6. Substituent Effects on the Solubility and Electronic Properties of the Cyanine Dye Cy5: Density Functional and Time-Dependent Density Functional Theory Calculations [O] . Austin Biaggne, William B. Knowlton, Bernard Yurke, 2021

机译：取代基对花青染料Cy5的溶解度和电子性质的影响：密度泛函和时间依赖性密度函数理论计算
7. Structural, elastic and electronic Properties of isotropic cubic crystals of carbon and silicon nanotubes : Density functional based tight binding calculations. [O] . Alexander L. Ivanovskii, Andrey N. Enyashin 2008

机译：结构，弹性和电子碳和硅纳米管各向同性立方晶体的性质：基于密度功能的紧束缚计算。

Structural and electronic properties of ZnO nanotubes from density functional calculations

摘要

著录项

相似文献

相关主题

期刊订阅