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  • 02월 20일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제113회 대한화학회 학술발표회, 총회 및 기기전시회 안내 The Comparison of Adsorption Structures of 2-Mercaptoethanol and Thioglycolic acid on the Ge(100) Surface

등록일
2014년 2월 17일 14시 30분 51초
접수번호
1247
발표코드
PHYS.P-423 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
4월 16일 (수요일) 16:00~19:00
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
이명진, 이한길*
숙명여자대학교 화학과, Korea
The adsorption selectivities between 2-mercaptoethanol (ME) and thioglycolic acid (TGA) were revealed through density functional theory (DFT) calculations of the respective stable adsorption structures, transition state energy, and reaction pathways when they adsorbed on the Ge(100)-2x1 surface. The DFT calculations suggested that most stable and reasonable pathway to adsorb ME and TGA on the Ge(100) surface, respectively. Moreover, in order to identify the most probable adsorption structures with their electronic properties of two molecules on Ge(100) surface, we have conducted experiment by HRPES to obtain adsorption structure data depending on coverages. HRPES analysis corroborated by DFT calculations, indicated that O dative bonded structure of ME at high coverage and O-H dissociated S-H dissociation bonded structure at low coverage are stable structures on Ge(100) surface. In addition, S-dative bonded structure of TGA at high coverage and S-H dissociated O2 dative bonded structure at low coverage are reasonable adsorption structure on Ge(100) surface.

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