Formation of BN-covered silicene on ZrB2/Si(111) by adsorption of NO and thermal processes
學年 109
學期 1
出版(發表)日期 2020-08-10
作品名稱 Formation of BN-covered silicene on ZrB2/Si(111) by adsorption of NO and thermal processes
著者 Jun Yoshinobu; Kozo Mukai; Hiroaki Ueda; Shinya Yoshimoto; Sumera Shimizu; Takanori Koitaya; Hiroyuki Noritake; Chi-Cheng Lee; Taisuke Ozaki; Antoine Fleurence; Rainer Friedlein; Yukiko Yamada-Takamura
著錄名稱、卷期、頁數 The Journal of Chemical Physics 153, 064702
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.
語言 en_US
ISSN 1089-7690
期刊性質 國外
收錄於 SCI
國別 USA
出版型式 ,電子版,紙本

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