史俊杰
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史俊杰
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论文成果
Improvement of n-type conductivity in hexagonal boron nitride monolayer by doping, strain and adsorption
发布时间：2020-06-08点击次数：
影响因子：
0.0
DOI码：
10.1039/c5ra25141a
发表刊物：
RSC Advances
摘要：
The n-type conductivity of hexagonal boron nitride (h-BN) monolayers has been studied using state-of-the-art first-principles calculations. We adopt three different methods, which are C, S, Si and Si–nO (n = 1, 2, 3) doping, applying strain and alkali metal (AM) atom (Li, Na, K and Rb) adsorption, to improve the n-type conductivity of h-BN monolayers. Three important results are obtained. First, as donor dopants, the activation energies (ED) of CB, SN and SiB are 1.22, 0.50 and 0.86 eV, respectively. The ED of Si can be further reduced via Si–nO codoping with an increasing O-atom number and it decreases to 0.39 eV for Si–3O. Second, ED can be effectively reduced by applying strain. The Si–3O has the lowest activation energy of 0.06 eV under 4% compressive biaxial strain. Finally, there is an obvious charge transfer from adsorbed AM atoms to h-BN monolayers, which results in an enhancement of electron concentration and improvement of n-type conductivity. This charge transfer is insensitive to the strain. The present results are significant for improving the performance of h-BN based two-dimensional optoelectronic nanodevices.
论文类型：
期刊论文
学科门类：
理学
一级学科：
物理学
卷号：
6
页面范围：
29190-29196
是否译文：
否
发表时间：
2016-03-11
收录刊物：
SCI
附件：