期刊
OPTIK
卷 227, 期 -, 页码 -出版社
ELSEVIER GMBH
DOI: 10.1016/j.ijleo.2020.166105
关键词
Two-dimensional materials; Janus MoSSe; Nanotube; Optoelectronic device; First principle calculation
类别
资金
- Postdoctoral Science Foundation of China [2018M643144]
- Natural Science Foundation of Guangdong Province [2019A1515010750]
- Shenzhen Natural Science Foundation [JCYJ20190808152801642]
The Janus MoSSe nanotube with an inner-built electric field has potential applications in optoelectronic devices and photocatalysis. This study calculated the formation energy and band structure of the nanotube using first principle calculation, considering different morphologies and factors. The research showed that the band structure is robust under rotation and translation operations.
The Janus MoSSe has attracted much attention since its successful synthetization in experiment. Due to the inversion symmetry breaking in vertical direction, it has an inner-built electric field and has potential applications in many fields such as optoelectronic devices and photocatalysis. Although its two-dimensional form has been widely investigated, the properties of Janus MoSSe nanotube has not been systematically investigated. In this work, we calculated the formation energy and projected band structure of Janus MoSSe nanotube with first principle calculation. Different morphologies such as singe wall nanotube and double wall nanotube are considered. Other factors such as the position of S atom and Se atom and the radius of nanotube are also considered. As last, we proved that the band structure is robust under rotation operation and translation operation. This work will shed some lights on the application of Janus MoSSe nanotube in optoelectronic field.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据