Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/6679
Title: ?-Silicene as oxidation-resistant ultra-thin coating material
Authors: Kandemir, Ali
İyikanat, Fadıl
Bacaksız, Cihan
Şahin, Hasan
Kandemir, Ali
İyikanat, Fadıl
Bacaksız, Cihan
Şahin, Hasan
Keywords: Coating material
Density functional theory
Oxidization
Silicene
Silver
Issue Date: 2017
Publisher: Beilstein-Institut Zur Forderung der Chemischen Wissenschaften
Source: Kandemir, A., İyikanat, F., Bacaksız, C., and Şahin, H. (2017). α-Silicene as oxidation-resistant ultra-thin coating material. Beilstein Journal of Nanotechnology, 8(1). doi:10.3762/bjnano.8.182
Abstract: By performing density functional theory (DFT)-based calculations, the performance of a-silicene as oxidation-resistant coating on Ag(111) surface is investigated. First of all, it is shown that the Ag(111) surface is quite reactive against O atoms and O2 molecules. It is known that when single-layer silicene is formed on the Ag(111) surface, the 3 × 3-reconstructed phase, a-silicene, is the ground state. Our investigation reveals that as a coating layer, a-silicene (i) strongly absorbs single O atoms and (ii) absorbs O2 molecules by breaking the strong O-O bond. (iii) Even the hollow sites, which are found to be most favorable penetration path for oxygens, serves as high-energy oxidation barrier, and (iv) α-silicene becomes more protective and less permeable in the presence of absorbed O atom. It appears that single-layer silicene is a quite promising material for ultra-thin oxidation-protective coating applications.
URI: http://doi.org/10.3762/bjnano.8.182
http://hdl.handle.net/11147/6679
ISSN: 2190-4286
2190-4286
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Photonics / Fotonik
Physics / Fizik
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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