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- Title
Silicene oxides: formation, structures and electronic properties.
- Authors
Rong Wang; Xiaodong Pi; Zhenyi Ni; Yong Liu; Shisheng Lin; Mingsheng Xu; Deren Yang
- Abstract
Understanding the oxidation of silicon has been critical to the success of all types of silicon materials, which are the cornerstones of modern silicon technologies. For the recent experimentally obtained two-dimensional silicene, oxidation should also be addressed to enable the development of silicene-based devices. Here we focus on silicene oxides (SOs) that result from the partial or full oxidation of silicene in the framework of density functional theory. It is found that the formation of SOs greatly depends on oxidation conditions, which concern the oxidizing agents of oxygen and hydroxyl. The honeycomb lattice of silicene may be preserved, distorted or destroyed after oxidation. The charge state of Si in partially oxidized silicene ranges from 11 to 13, while that in fully oxidized silicene is 14. Metals, semimetals, semiconductors and insulators can all be found among the SOs, which show a wide spectrum of electronic structures. Our work indicates that the oxidation of silicene should be exquisitely controlled to obtain specific SOs with desired electronic properties.
- Subjects
CORNERSTONE laying; SILICON oxide; ELECTRIC conductivity; SEMICONDUCTOR industry; OXIDATION kinetics; SEMIMETALS; PHOTOSYNTHETIC oxygen evolution
- Publication
Scientific Reports, 2013, p1
- ISSN
2045-2322
- Publication type
Article
- DOI
10.1038/srep03507