Theoretical prediction of heterogeneous molecular wires on the Si(001) surface
- Authors
- Choi, Jin-Ho; Cho, Jun Hyung
- Issue Date
- Mar-2006
- Publisher
- AMER CHEMICAL SOC
- Citation
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.128, no.12, pp.3890 - 3891
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Volume
- 128
- Number
- 12
- Start Page
- 3890
- End Page
- 3891
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/181736
- DOI
- 10.1021/ja058672i
- ISSN
- 0002-7863
- Abstract
- Using first-principles density-functional calculations, we propose a self-assembly technique for fabrication of the heterogeneous molecular wire on the dangling-bond wire generated on a H-passivated Si(001) surface. Here, we choose pyridine and borine as Lewis base and acid molecules, respectively, to demonstrate different behaviors in the chemical reactivity and selectivity on the dangling-bond wire, leading to formation of the heterogeneous pyridine−borine wire.
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