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Thermal dissociation of CO molecules and carbon incorporation on the Si(111)-(7 × 7) surface
Surface Science ( IF 1.9 ) Pub Date : 2020-06-01 , DOI: 10.1016/j.susc.2020.121589
Eonmi Seo , Daejin Eom , Eun-Ha Shin , Hanchul Kim , Ja-Yong Koo

Abstract Incorporation of carbon (C) atoms in the Si(111)-(7 × 7) surface is investigated by using scanning tunneling microscopy and density-functional theory calculations. C atoms are supplied through thermal dissociation of CO molecules adsorbed on the Si(111)-(7 × 7) surface. One C atom can be incorporated substitutionally below the Si adatoms of the (7 × 7) structure. However, the stable (7 × 7) surface can accommodate only a very small amount of C atoms and the surplus C atoms are swept away to the step edges in the form of silicon-carbon clusters, restoring the clean Si(111)-(7 × 7) structure on the flat terrace. In contrast to the B-induced 3 × 3 reconstruction, high density C atoms do not induce a single crystalline 3 × 3 reconstruction over a wide area of Si(111).

中文翻译:

CO分子的热解离和Si(111)-(7×7)表面上的碳结合

摘要 通过使用扫描隧道显微镜和密度泛函理论计算研究了碳 (C) 原子在 Si(111)-(7 × 7) 表面的掺入。C 原子通过吸附在 Si(111)-(7 × 7) 表面上的 CO 分子的热解离提供。一个 C 原子可以在 (7 × 7) 结构的 Si 吸附原子下方替代地引入。然而,稳定的(7×7)表面只能容纳非常少量的C原子,多余的C原子以硅-碳簇的形式被扫到台阶边缘,恢复干净的Si(111)-( 7 × 7) 结构在平坦的露台上。与 B 诱导的 3 × 3 重建相反,高密度 C 原子不会在大面积的 Si(111)上诱导单晶 3 × 3 重建。
更新日期:2020-06-01
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