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在Ag(110)上鉴定出一种AgS络合物。

Identification of an AgS Complex on Ag(110).

作者信息

Spurgeon Peter M, Liu Da-Jiang, Oh Junepyo, Kim Yousoo, Thiel Patricia A

机构信息

Department of Chemistry, Iowa State University, Ames, Iowa, 50011, USA.

Ames Laboratory of the USDOE, Ames, Iowa, 50011, USA.

出版信息

Sci Rep. 2019 Dec 27;9(1):19842. doi: 10.1038/s41598-019-56275-4.

Abstract

Adsorbed sulfur has been investigated on the Ag(110) surface at two different coverages, 0.02 and 0.25 monolayers. At the lower coverage, only sulfur adatoms are present. At the higher coverage, there are additional bright features which we identify as linear, independent AgS complexes. This identification is based upon density functional theory (DFT) and its comparison with experimental observations including bias dependence and separation between complexes. DFT also predicts the absence of AgS complexes at low coverage, and the development of AgS complexes around a coverage of 0.25 monolayers of sulfur, as is experimentally observed. To our knowledge, this is the first example of an isolated linear sulfur-metal-sulfur complex.

摘要

已在Ag(110)表面研究了两种不同覆盖度(0.02和0.25单层)下吸附的硫。在较低覆盖度下,仅存在硫吸附原子。在较高覆盖度下,还有额外的明亮特征,我们将其识别为线性、独立的AgS络合物。这一识别基于密度泛函理论(DFT)及其与包括偏压依赖性和络合物间间距在内的实验观察结果的比较。DFT还预测在低覆盖度下不存在AgS络合物,以及在硫覆盖度约为0.25单层时AgS络合物的形成,这与实验观察结果一致。据我们所知,这是孤立线性硫-金属-硫络合物的首个实例。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4821/6934528/6a21a8006fc0/41598_2019_56275_Fig1_HTML.jpg

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