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cond-mat.mtrl-sci2012★ 123 cited
Electronic Structures of N-doped Graphene with Native Point Defects
Zhufeng Hou, Xianlong Wang, Takashi Ikeda +3
Nitrogen doping in graphene has important implications in graphene-based devices and catalysts. We have performed the density functional theory calculations to study the electronic…
cond-mat.mtrl-sci2010
Organometallic Wires Constructed from Transitional Metals and Anthracene: A Theoretical Study
Xianlong Wang, Xiaohong Zheng, Zhi Zeng
The properties of organometallic wires [TM2(Ant)] constructed with transitional metals (TM = Sc, Ti, V, Cr, Mn and Fe) and anthracene (Ant) are investigated by first-principles cal…