First-Principles Calculations on the Emission Properties of Pristine and N-Doped Carbon Nanotubes

Chun Wang; Liang Qiao; Chaoqun Qu

首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >First-Principles Calculations on the Emission Properties of Pristine and N-Doped Carbon Nanotubes

【24h】

First-Principles Calculations on the Emission Properties of Pristine and N-Doped Carbon Nanotubes

机译：原始和N掺杂碳纳米管发射特性的第一性原理计算

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 electronic structures and field-emission properties for pristine and N-doped capped single-walled carbon nanotubes(CNTs)are investigated on the basis of density functional theory.The emission currents from three types of orbitals in CNTs are calculated under the applied electric field.Upon N-doping,total current increases about 4 times under a lower electric field,and 1.5 times under a higher electric field.Comparison between the emission currents from different orbitals shows that the orbital induced by N-doping plays an important role in the emission property of N-doped CNT.The effect of the doping position on the emission property for N-doped CNT is discussed,and the optimal N-doping configuration is obtained.

机译：基于密度泛函理论研究了原始和N掺杂的封端单壁碳纳米管的电子结构和场发射特性。在施加电场的情况下，计算了碳纳米管中三种轨道的发射电流。在N掺杂时，总电流在较低电场下增加约4倍，在较高电场下增加1.5倍。不同轨道的发射电流之间的比较表明，N掺杂诱导的轨道在N掺杂中起着重要作用。讨论了掺杂位置对N掺杂CNT发射特性的影响，并获得了最佳的N掺杂构型。

著录项

来源
《The journal of physical chemistry, C. Nanomaterials and interfaces》 |2009年第3期|共7页
作者
Chun Wang; Liang Qiao; Chaoqun Qu;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类特种结构材料;表面现象的物理化学;
关键词

相似文献

外文文献
中文文献
专利

1. First-Principles Calculations on the Emission Properties of Pristine and N-Doped Carbon Nanotubes [J] . Chun Wang, Liang Qiao, Chaoqun Qu The journal of physical chemistry, C. Nanomaterials and interfaces . 2009,第3期

机译：原始和N掺杂碳纳米管发射特性的第一性原理计算
2. Field Emission Patterns from First-Principles Electronic Structures: Application to Pristine and Cesium-Doped Carbon Nanotubes [J] . Mohammad Khazaei, Amir A. Farajian, Yoshiyuki Kawazoe Physical review letters . 2005,第17期

机译：第一性原理电子结构的场发射模式：在原始和铯掺杂碳纳米管中的应用
3. Application of carbon nanostructures toward SO2 and SO3 adsorption: a comparison between pristine graphene and N-doped graphene by DFT calculations [J] . Rad Ali Shokuhi, Esfahanian Mehri, Maleki Sina, Journal of sulfur chemistry . 2016,第1a6期

机译：碳纳米结构在SO2和SO3吸附中的应用：通过DFT计算比较原始石墨烯和N掺杂石墨烯
4. Modification in Surface Morphology and Enhanced Field Emission Properties of Pristine Carbon Nanotubes by Introducing Nitrogen Gas [C] . Vishakha Kaushik, Himani Sharma, A. K. Shukla, Indian Vacuum Society Symposium on Thin Films . 2012

机译：通过引入氮气改性原始碳纳米管的表面形态和增强的场排放性能
5. Properties of small radius single-wall carbon nanotubes from first-principles calculations. [D] . Liu, Huijun. 2003

机译：从第一性原理计算得出的小半径单壁碳纳米管的特性。
6. Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene [O] . Yuriy Hizhnyi, Sergii Nedilko, Viktor Borysiuk, 2017

机译：原始和B或N掺杂的碳纳米管和石墨烯表面铬酸盐分子阴离子吸附的从头算计算研究
7. Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene [O] . 2017

机译：原始和B或N掺杂的碳纳米管和石墨烯表面铬酸盐分子阴离子吸附的从头算计算研究

First-Principles Calculations on the Emission Properties of Pristine and N-Doped Carbon Nanotubes

摘要

著录项

相似文献

相关主题

期刊订阅