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    题名: Formation of BN-covered silicene on ZrB2/Si(111) by adsorption of NO and thermal processes
    作者: Yoshinobu, Jun;Mukai, Kozo;Ueda, Hiroaki;Yoshimoto, Shinya;Shimizu, Sumera;Koitaya, Takanori;Noritake, Hiroyuki;Lee, Chi-Cheng;Ozaki, Taisuke;Fleurence, Antoine;Friedlein, Rainer;Yukiko, Yamada-Takamura
    日期: 2020-08-10
    上传时间: 2020-09-17 12:12:00 (UTC+8)
    摘要: We have investigated the adsorption and thermal reaction processes of NO with silicene spontaneously formed on the ZrB2/Si(111) substrate using synchrotron radiation x-ray photoelectron spectroscopy (XPS) and density-functional theory calculations. NO is dissociatively adsorbed on the silicene surface at 300 K. An atomic nitrogen is bonded to three Si atoms most probably by a substitutional adsorption with a Si atom of silicene (N≡Si3). An atomic oxygen is inserted between two Si atoms of the silicene (Si—O—Si). With increasing NO exposure, the two-dimensional honeycomb silicene structure gets destroyed, judging from the decay of typical Si 2p spectra for silicene. After a large amount of NO exposure, the oxidation state of Si becomes Si4+ predominantly, and the intensity of the XPS peaks of the ZrB2 substrate decreases, indicating that complicated silicon oxinitride species have developed three-dimensionally. By heating above 900 K, the oxide species start to desorb from the surface, but nitrogen-bonded species still exist. After flashing at 1053 K, no oxygen species is observed on the surface; SiN species are temporally formed as a metastable species and BN species also start to develop. In addition, the silicene structure is restored on the ZrB2/Si(111) substrate. After prolonged heating at 1053 K, most of nitrogen atoms are bonded to B atoms to form a BN layer at the topmost surface. Thus, BN-covered silicene is formed on the ZrB2/Si(111) substrate by the adsorption of NO at 300 K and prolonged heating at 1053 K.
    關聯: The Journal of Chemical Physics 153, 064702
    DOI: 10.1063/5.0011175
    显示于类别:[物理學系暨研究所] 期刊論文

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