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학술발표회초록보기

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  • 02월 28일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제123회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Computational studies on functionalization of 2D materials

등록일
2019년 2월 13일 10시 24분 09초
접수번호
4030
발표코드
PHYS2-4 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 10시 : 00분
발표형식
심포지엄
발표분야
Physical Chemistry - Current Advances in Theoretical and Computational Chemistry
저자 및
공동저자
Jaehoon Jung
Department of Chemistry, University of Ulsan, Korea
Interfacial interaction has long served as a key element to get fundamental insights into surface science and related chemical phenomena. Understanding interfacial interaction is, therefore, of great importance to achieve robust predictability and high controllability in a variety of applications. Herein we discuss the role of interfacial interaction in the functionalization of 2D materials, which is crucial for applying them as a component in functional device or as a catalyst via tuning their chemical and physical properties. Computational studies based on density functional theory were performed to explain the experimental observation for the hydroxylation of graphene epitaxially grown on metal substrate. The formation of hydroxylated graphene with a highly-ordered fashion, which was observed in scanning tunneling microscopy study, can be understood with interfacial interaction between graphene sheet and underneath metal substrate. In addition, a few on-going studies related to the functionalization of 2D materials will also be introduced in this presentation.

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