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Two-dimensional delocalized states in organometallic bis-acetylide networks on Ag(111)

机译：二维非定域化的国家有机金属bis-acetylide网络股份有限公司(111)

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摘要

The electronic structure of surface-supported organometallic networks with Ag-bis-acetylide bonds that are intermediate products in the bottom-up synthesis of graphdiyne and graphdiyne-like networks were studied. Scanning tunneling microscopy (STM) and spectroscopy (STS) reveal a frontier, unoccupied electronic state that is delocalized along the entire organometallic network and proves the covalent nature of the Ag-bis-acetylide bonds. Density-functional theory (DFT) calculations corroborate the spatial distribution of the observed delocalized state and attribute it to band mixing of carbon and silver atoms combined with n-doping of the metal surface. The metal-bis-acetylide bonds are typical metal-organic bonds with mixed character containing covalent and strong ionic contributions. Moreover, the organometallic networks exhibit a characteristic graphene-like band structure with linear band dispersion at each K point.
机译：surface-supported的电子结构有机金属网络Ag-bis-acetylide债券中中间产品自底向上graphdiyne和合成graphdiyne-like网络进行了研究。隧道显微镜和光谱学(STS)揭示了边境,空置的电子状态这是沿着整个离域有机金属网络和证明了共价Ag-bis-acetylide债券的性质。密度泛函理论(DFT)计算确证的空间分布观察到非定域化的状态和属性带混合的碳和银原子结合n-doping的金属表面。metal-bis-acetylide债券是典型的有机与混合字符包含共价和强烈的离子的贡献。网络展览graphene-like特征能带结构与线性带色散每个K点。

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