Molecular Nanocorrals on Si(111)-(7x7): Temperature-Dependent Site   Selectivity

doi:10.1021/acs.jpcc.6b07477

CORC > 北京大学 > 化学与分子工程学院

	Molecular Nanocorrals on Si(111)-(7x7): Temperature-Dependent Site Selectivity
	Mao, Wei ; He, Jing Hui ; Xi, Yong Jie ; Chen, Wei ; Wu, Kai ; Zhang, Chun ; Tok, Eng Soon ; Xu, Guo Qin
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2016
关键词	SCANNING-TUNNELING-MICROSCOPY LOCALIZED ATOMIC REACTION SURFACE DANGLING BONDS AUGMENTED-WAVE METHOD X 7 ELECTRON-DIFFRACTION ORGANIC-MOLECULES ADSORPTION CHEMISORPTION CHEMISTRY
DOI	10.1021/acs.jpcc.6b07477
英文摘要	Chemisorbed molecular nanocorrals on semiconductor surfaces are of both fundamental and technical importance. 1-Propanethiol molecules adsorbed on Si(111)-(7X7) were investigated using high-resolution energy loss spectroscopy (HREELS), scanning tunneling microscopy (STM), and periodic density functional theory (DFT) calculations. HREELS spectra show that the 1-propanethiol molecules undergo S-H bond dissociative adsorption on Si(111)-(7X7). STM images reveal the temperature-dependent site selectivity for the binding of C3H7S- fragments. At room temperature, C3H7S-prefers to bind to faulted subunits compared to Unfaulted subunits. At 110 K, C3H7S- binding on center adatoms over corner adatoms is dominant, resulting in an ordered array of molecular nanocorrals. DFT calculations were performed on a periodic slab including the entire 7X7 reconstruction rather than on a cluster model. The theoretical studies suggest that the temperature-dependent site selectivity originates from the thermal-plus-electron-induced diffusion of dissociative products and the site-preferential accommodation of the mobile physisorbed precursors. Our results provide a fundamental understanding on the origin of site selectivity of molecular binding on Si(111)-(7x7).; Singapore National Research Foundation CREATE-SPURc program [R-143-001-205-592]; SCI(E); ARTICLE; chmxugq@nus.edu.sg; 43; 24780-24788; 120
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/458483]
专题	化学与分子工程学院工学院
推荐引用方式 GB/T 7714	Mao, Wei,He, Jing Hui,Xi, Yong Jie,et al. Molecular Nanocorrals on Si(111)-(7x7): Temperature-Dependent Site Selectivity[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016.
APA	Mao, Wei.,He, Jing Hui.,Xi, Yong Jie.,Chen, Wei.,Wu, Kai.,...&Xu, Guo Qin.(2016).Molecular Nanocorrals on Si(111)-(7x7): Temperature-Dependent Site Selectivity.JOURNAL OF PHYSICAL CHEMISTRY C.
MLA	Mao, Wei,et al."Molecular Nanocorrals on Si(111)-(7x7): Temperature-Dependent Site Selectivity".JOURNAL OF PHYSICAL CHEMISTRY C (2016).