copper cluster
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Author(s):  
Alina Sekretareva ◽  
Shiliang Tian ◽  
Sébastien Gounel ◽  
Nicolas Mano ◽  
Edward I. Solomon

2021 ◽  
Vol 125 (35) ◽  
pp. 19455-19466
Author(s):  
Kamyar Akbari Roshan ◽  
Mahdi Khajeh Talkhoncheh ◽  
Jonathan E. Mueller ◽  
William A. Goddard ◽  
Adri C. T. van Duin

2021 ◽  
pp. 120544
Author(s):  
Ding-Chong Han ◽  
Yu-Hui Tan ◽  
Yao Liu ◽  
Xiao-Wei Fan ◽  
Yun-Zhi Tang ◽  
...  
Keyword(s):  
Band Gap ◽  

2021 ◽  
Vol 261 ◽  
pp. 02055
Author(s):  
Wenjun Hao ◽  
Lei Jin ◽  
Rong Fan ◽  
Xinyu Su ◽  
Zongping Chen

Graphdiyne (GDY) is a new type of two-dimensional (2D) carbon materials, in which two benzene rings are chained by diacetylenic linkages (-C≡C-C≡C-). γ-GDY is the most studied GDY due to its stable configuration and was experimentally obtained in 2010 through cross coupling reaction by using hexaethynylbenzene as precursor. Hydrogen substituted graphdiyne (HsGDY) was obtained using 1, 3, 5-triethynylbenzene as precursor in a similar process. Hereinto, a copper cluster doped hydrogen substituted graphdiyne nanofibers (Cu-HsGDY) were prepared through a facile one-pot in-situ synthetic approach in a good reproductive manner. Through simply removing the copper foil, the obtained robust Cu-HsGDY can be transferred onto arbitrary substrates, especially flexible substrates, such as polyethylene terephthalate (PET), which can be used as flexible electronics as future materials.


General analytical expressions are obtained for calculating the dimension of multi-shell clusters with a common center of shells in those cases when there is a metal atom in the center of the shells and when it is not. The shells can be in the shape of any body of Plato. It has been established that the gamma-copper cluster has the form of a cross-polytope of high dimension. The forms of clusters with ligands of the core of which is a chain of metal atoms or a metal polyhedron are geometrically investigated. It is shown that if the skeleton is a chain of metal atoms, then the cluster is polytope composed of two polytopes of higher dimension adjacent to each other along a flat section containing a chain. If the skeleton is a metal polyhedron, then a cluster of higher dimension has several ligand shells.


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