成果/Result
- High stability of the goldalloy fullerenes: A density functional theory investigation of M12@Au20 (M = Na, Al, Ag, Sc, Y, La, Lu, and Au) clusters被引量：53收藏
- 作者：Zhang, Meng Feng, Xiao-Juan Zhao, Li-Xia Zhang, Hong-Yu Luo, You-Hua
- 机构： Department of Physics
- 来源：Chinese Physics B 2012
- 关键词：Molecular orbitals - Binding energy - Fullerenes - Nanostructures - Electronic properties - Gold
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- Structural, electronic, and magnetic properties in FeAlAun (n=1-6) clusters: A first-principles study被引量：3收藏
- 作者：Zhang Jian-Fei Zhang Meng Zhao Yan-Wei Zhang Hong-Yu Zhao Li-Na Luo You-Hua
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：CHINESE PHYSICS B 2015
- 关键词：density functional theory structural properties gold properties
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- Opening Band Gap of Graphene by Chemical Doping: a First Principles Study被引量：2收藏
- 作者：管小敏 张红雨 张孟 罗有华
- 机构：Department of Physics
- 来源：《Chinese Journal of Structural Chemistry》 2014
- 关键词：grapheme chemical doping DFT band gap
- 摘要：Single atom chemically doped graphene has been theoretically studied by density functional theory. The largest...
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