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Theoretical Prediction of 1-D Molecular Lines on the H-Terminated Si(001) Surface

등록일
2007년 8월 11일 13시 19분 29초
접수번호
0345
발표코드
금10H4심 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 10시 : 40분
발표형식
심포지엄
발표분야
물리화학 - Trends in Surface Chemistry
저자 및
공동저자
조준형
한양대학교 물리학과,
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 an H-passivated Si(001) surface [1]. 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. In addition, we present the Peierls instability in the 1D borine wire formed on the Si(001) surface [2]. We find that this molecular wire is stabilized by formation of a 1D-CDW(charge density wave), accompanying a structural distortion with a double periodicity and a band-gap opening at the Fermi level. Such a 1D molecular wire on the 2D substrate provides a surface CDW system to allow a real space observation of CDWs, their fluctuations or critical behaviors at atomic scale. [1] J.-H. Choi and J.-H. Cho, J. Am. Chem. Soc. 128 (2006) 3890. [2] J.-H. Choi and J.-H. Cho, J. Am. Chem. Soc. 128(2006) 11340.

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