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Electronic structure and field emission characteristics of a new kind of BeO nanotubes: A first-principles study
Journal of Vacuum Science & Technology B ( IF 1.5 ) Pub Date : 2021-03-29 , DOI: 10.1116/6.0000945
Shunfu Xu 1, 2, 3 , Weihui Liu 4 , Ziliang Zhu 1, 2 , Chun Li 5 , Guang Yuan 5
Affiliation  

First-principles calculations are used to investigate electronic and field emission characteristics of (5, 5) capped BeO nanotubes (BeONTs), which indicate that their emission currents under external electric fields are close to those of carbon nanotubes, and decagons on their apexes are the most probable positions for electron emission. In addition, work functions of the (5, 5) BeONTs decrease linearly with applied electric fields. The remarkable influence of lithium adsorption on their field emission characteristics is also investigated. Their work functions decline distinctly after lithium adsorption, while the emission currents have been improved by more than one order of magnitude. Moreover, there is a polynomial relationship between the total currents and the external fields.

中文翻译:

新型BeO纳米管的电子结构和场发射特性:第一性原理研究

第一性原理计算用于研究(5,5)封端的BeO纳米管(BeONTs)的电子和场发射特性,这表明它们在外部电场下的发射电流接近碳纳米管,并且其顶点上的十边形为电子发射的最可能位置。此外,(5,5)BeONT的功函数随施加的电场而线性减小。还研究了锂吸附对其场发射特性的显着影响。锂吸附后,它们的功函数明显下降,而发射电流却提高了一个数量级以上。此外,总电流与外部磁场之间存在多项式关系。
更新日期:2021-05-22
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