화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU))
권호 26권 1호
발표분야 포스터-나노
제목 A strategy for tailoring the electronic energy level of graphene with covalent functionalization
초록 Since its debut in 2004, graphene has attracted enormous interest in scientific and engineering communities because of its unique and outstanding properties. Both pristine graphene and modified graphene have possibilities for use in numerous applications. Here, we report an in-depth study on the properties of graphene nanosheets functionalized with carbene molecules. In order to observe the covalent or noncovalent interaction, carbene molecules with a pyrene tail group were designed and synthesized. It was found that the covalent bond of the carbene molecule to the graphene edge may allow the hybridization of their orbitals. Consequently, it is believed that the carbene molecule can act as a π acceptor via the covalent bridge. ​

 
저자 이상혁, 윤현석
소속 전남대
키워드 Graphene; DFT calculation; Covalent functionalization; Noncovalent interaction
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