Theoretical investigation of edge-modified zigzag graphene nanoribbons by scandium metal with pyridine-like defects: A potential hydrogen storage material

Theoretical investigation of edge-modified zigzag graphene nanoribbons by scandium metal with pyridine-like defects: A potential hydrogen storage material

Functionalization of zigzag graphene nanoribbon (ZGNR) segment containing 120 C atoms with pyridine (3NV-ZGNR) defects was investigated on the basis of density-functional theory (DFT) calculations, results show that edge-modified ZGNRs by Sc can adsorb multiple hydrogen molecules in a quasi-molecula...

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書目詳細資料
主要作者:	Mananghaya, Michael
格式:	text
出版:	Animo Repository 2014
主題:	Binding energy Transition metals Graphene Density functionals Pyridine Chemical Engineering
在線閱讀:	https://animorepository.dlsu.edu.ph/faculty_research/2205 https://animorepository.dlsu.edu.ph/context/faculty_research/article/3204/type/native/viewcontent
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	De La Salle University

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