화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2012년 가을 (10/31 ~ 11/02, 대전컨벤션센터)
권호 16권 2호
발표분야 수소제조 및 저장
제목 Computational Study of Electronic and Ionic structures for Energy Storage and Energy Conversion
초록 Our group has studied electronic structures and ionic structures of various materials, including graphene, metal-graphene interfaces, ionic solids, and ionic liquids. Motivations of these works are related to energy storage and energy conversion devices. In this presentation, We would like to cover mainly four topics in such a view point. We first discuss hydrogenation of graphene in the perspective of hydrogen storage. As discussed in our recent publications, the hydrogenation and dehydrogenation of graphene can have some significance as hydrogen storage media, only when the migration channels of hydrogen adatoms are activated on the graphene planes. The competition between amine and ammonium on graphene surfaces can provide a decent hydrogen exchange mechanism that can lead to hydrogen migration and hydrogen spillover. We also have investigated the structures of halogen anions on graphene and in graphitic galleries.
저자 박노정, 신동빈, 정현, 최민
소속 울산과학기술대
키워드 energy storage; hydrogen storage; electronic structure
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