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본문검색 결과만 보기
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Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach
Hye Sook Moon, Ji Hye Lee, Soonchul Kwon, Il Tae Kim, Seung Geol Lee 한국탄소학회 Carbon Letters 5 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.2 7 116-120 (5 pages)
We investigated the adsorption of Na on graphene and graphene oxide, which are used as anode materials in sodium ion batteries, using density functional theory. The adsorption energy for Na on graphene was -0.507 eV at the hollow sites, implying that adsorption was favorable. In the case of graphene oxide, Na atoms were separately adsorbed on the epoxide and hydroxyl functional groups. The adsorption of Na on graphene oxide-epoxide (adsorption energy of -1.024 eV) was found to be stronger than...
