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作 者:Linwei Zhou Chen-Guang Wang Zhixin Hu Xianghua Kong Zhong-Yi Lu Hong Guo Wei Ji 周霖蔚;王晨光;胡智鑫;孔祥华;卢仲毅;郭鸿;季威(Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials&Micro-nano Devices,Renmin University of China,Beijing 100872,China;Center for Joint Quantum Studies and Department of Physics,Institute of Science,Tianjin University,Tianjin 300350,China;Centre for the Physics of Materials and Department of Physics,McGill University,3600 University Street,Montreal,QC,H3A 2T8,Canada)
机构地区:[1]Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials&Micro-nano Devices,Renmin University of China,Beijing 100872,China [2]Center for Joint Quantum Studies and Department of Physics,Institute of Science,Tianjin University,Tianjin 300350,China [3]Centre for the Physics of Materials and Department of Physics,McGill University,3600 University Street,Montreal,QC,H3A 2T8,Canada
出 处:《Chinese Physics Letters》2020年第11期75-80,共6页中国物理快报(英文版)
基 金:Supported by the National Natural Science Foundation of China(Grant Nos.11622437,11804247,61674171,and 11974422);the Fundamental Research Funds for the Central Universities of China;the Research Funds of Renmin University of China(Grant Nos.19XNQ025 and 19XNH066);the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB30000000)。
摘 要:We carry out ab initio density functional theory calculations to study manipulation of electronic structures of selfassembled molecular nanostructures on metal surfaces by investigating the geometric and electronic properties of glycine molecules on Cu(100).It is shown that a glycine monolayer on Cu(100)forms a two-dimensional hydrogen-bonding network between the carboxyl and amino groups of glycine using a first principles atomistic calculation on the basis of a recently found structure.This network includes at least two hydrogen-bonding chains oriented roughly perpendicular to each other.Through molecule–metal electronic hybridization,these two chains selectively hybridized with the two isotropic degenerate Cu(100)surface states,leading to two anisotropic quasi-one-dimensional surface states.Electrons occupying these two states can near-freely move from a molecule to its adjacent molecules directly through the intermolecular hydrogen bonds,rather than mediated by the substrate.This results in the experimentally observed anisotropic free-electron-like behavior.Our results suggest that hydrogen-bonding chains are likely candidates for charge conductors.
关 键 词:structure. CHAINS BONDING
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