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  • 09월 01일 18시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제118회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Experimental and computational studies of formic acid dehydrogenation over PdAu: influence of ensemble and ligand effects on catalysis

등록일
2016년 9월 1일 13시 35분 31초
접수번호
2338
발표코드
INOR.P-254 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 13일 (목요일) 11:00~12:30
발표형식
포스터
발표분야
무기화학
저자 및
공동저자
최수빈, 박현서1,*, 윤창원1,*
경희대학교 KHU-KIST 융합과학기술학과, Korea
1한국과학기술연구원(KIST) 연료전지연구센터, Korea
We elucidated the potential role of the ligand and ensemble effects in improving formic acid (FA) dehydrogenation over PdAu catalysts by employing both experimental and theoretical studies. Relevant energetics associated with FA decomposition were considered by preparing PdAu model catalysts with four distinct surface atomic arrangements. Among these PdAu surfaces, the Pd3Au1 surface was found to have the lowest reaction pathway and kinetic barrier for FA dehydrogenation, implying that the Pd trimer played an important role in stabilizing intermediates. Consistent with the theoretical results, the experimentally modified PdAu catalysts showed different FA dehydrogenation activities depending on the surface arrangements. In addition, the electronic interaction between the surface and subsurface layers further proved to contribute to the increased activity of PdAu catalysts via modification of Pd d states.

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