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Atomically resolved structure of ligand-protected Au-9 clusters on TiO2 nanosheets using aberration-corrected STEM

机译:使用像差校正的STEM在TiO2纳米片上以原子方式解析配体保护的Au-9团簇

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摘要

Triphenylphosphine ligand-protected Au-9 clusters deposited onto titania nanosheets show three different atomic configurations as observed by scanning transmission electron microscopy. The configurations observed are a 3-dimensional structure, corresponding to the previously proposed Au-9 core of the clusters, and two pseudo-2-dimensional (pseudo-2D) structures, newly found by this work. With the help of density functional theory (DFT) calculations, the observed pseudo-2D structures are attributed to the low energy, de-ligated structures formed through interaction with the substrate. The combination of scanning transmission electron microscopy with DFT calculations thus allows identifying whether or not the deposited Au-9 clusters have been de-ligated in the deposition process. (C) 2016 AIP Publishing LLC.
机译:沉积在二氧化钛纳米片上的三苯基膦配体保护的Au-9团簇显示出三种不同的原子构型,如通过扫描透射电子显微镜观察到的。观察到的配置是一个3维结构,对应于先前提出的簇的Au-9核,以及通过这项工作新发现的两个伪2维(伪2D)结构。借助密度泛函理论(DFT)计算,观察到的伪2D结构归因于通过与底物相互作用形成的低能解结结构。因此,将扫描透射电子显微镜与DFT计算相结合,可以确定所沉积的Au-9簇在沉积过程中是否已经脱结。 (C)2016 AIP出版有限责任公司。

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