Investigation of the Local Structure of Graphene Oxide

Investigation of the Local Structure of Graphene Oxide
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DOI:
10.1021/jz1014339
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发表时间:
2010-11
影响因子:
5.7
通讯作者:
S. Saxena;T. Tyson;E. Negusse
S. Saxena;T. Tyson;E. Negusse
中科院分区:
化学2区
文献类型:
--
作者:
S. Saxena;T. Tyson;E. Negusse

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对氧化石墨烯的局部结构进行了研究。氧化石墨烯被认为是部分氧化的石墨烯。层间态对应的吸收峰表明氧化石墨烯中存在原始石墨纳米岛。位置投影的碳原子与氧原子键合态的偏密度表明,氧化石墨烯的碳k边光谱中由于层间态导致的峰的展宽主要是由于环氧化物键的形成。密度泛函理论表明,多层氧化石墨烯是由类似过氧化物的键连接起来的。
A study of the local structure of graphene oxide is presented. Graphene oxide is understood to be partially oxidized graphene. Absorption peaks corresponding to interlayer states suggest the presence of pristine graphitic nanoislands in graphene oxide. Site-projected partial density of states of carbon atoms bonded to oxygen atoms suggests that the broadening of the peak due to interlayer states in the carbon K-edge spectrum of graphene oxide is predominantly due to formation of epoxide linkages. Density functional theory suggests that multilayers of graphene oxide are linked by peroxide-like linkages.