期刊
SEMICONDUCTOR SCIENCE AND TECHNOLOGY
卷 29, 期 6, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0268-1242/29/6/064006
关键词
2D layered materials; tin sulfide; charge transfer; density-functional theory
类别
资金
- European Union via ERC [INTIF 226639]
The present paper focuses on the interactions between single SnS and SnS2 monolayers and the properties of the combined SnS@SnS2 double-layer system. These materials occur as structural elements in inorganic nanotubes. We have employed density-functional theory-based methods to calculate structural, energetic, and electronic properties of these structures. Thereby, we have put emphasis on the difference between the two single layers and the double-layer system with special consideration of an occurring charge transfer from SnS2 to SnS. We will show that the interlayer interplay is beyond a simple non-bonding van-der-Waals interaction, which contrasts the properties of many other layered structures and makes combined SnS@SnS2 a unique material.
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