Unprecedented Icosahedral Clusters Built of Polyantimony: From Single [Ni0.5@{Sb6Ni6(CO)8}]4− and [Ni@{Sb7Ni5(CO)6}]3− to Sb84−-linked Dimer [(Sb8){Sb7Ni5(CO)4}2]6−

2021 ◽  
Author(s):  
Lifang Lin ◽  
Shan Chen ◽  
Zhihao Lu ◽  
Li Xu
Keyword(s):  
Icosahedral Clusters

The reactions of K2ZnSb (0.234 mol) and Ni(CO)2(PPh3)2 (x mol) in ethylenediamine (en) solutions of 18-crown-6 at 60°C yielded half-centered [Ni0.5@{Sb6Ni6(CO)8}]4− ( x = 0.023, 1) and fully embedded [Ni@{Sb7Ni5(CO)6}]3−...

scholarly journals Boron-Decorated Pillared Graphene as the Basic Element for Supercapacitors: An Ab Initio Study

2021 ◽  
Vol 11 (8) ◽  
pp. 3496
Author(s):  
Dmitry A. Kolosov ◽  
Olga E. Glukhova
Keyword(s):  
Density Functional ◽  
Dft Method ◽  
Heat Of Formation ◽  
Basic Element ◽  
Supercapacitor Electrode ◽  
Functional Theory ◽  
Icosahedral Clusters ◽  
New Material ◽  
Principle Density Functional Theory ◽  
Specific Quantum

In this work, using the first-principle density functional theory (DFT) method, we study the properties of a new material based on pillared graphene and the icosahedral clusters of boron B12 as a supercapacitor electrode material. The new composite material demonstrates a high specific quantum capacitance, specific charge density, and a negative value of heat of formation, which indicates its efficiency. It is shown that the density of electronic states increases during the addition of clusters, which predictably leads to an increase in the electrode conductivity. We predict that the use of a composite based on pillared graphene and boron will increase the efficiency of existing supercapacitors.

Structure of icosahedral clusters in cubicAl5.6Li2.9Cu

1988 ◽  
Vol 37 (14) ◽  
pp. 8495-8498 ◽  
Author(s):  
Christopher A. Guryan ◽  
Peter W. Stephens ◽  
Alan I. Goldman ◽  
Frank W. Gayle
Keyword(s):  
Icosahedral Clusters

Local Atomic Structures in Amorphous and Quasicrystalline Zr70Ni10Pt20and Zr80Pt20Alloys by the Anomalous X-ray Scattering Method

2000 ◽  
Vol 644 ◽  
Author(s):  
Eiichiro Matsubara ◽  
Takahiro Nakamura ◽  
Masaki Sakurai ◽  
Muneyuki Imafuku ◽  
Shigeo Sato ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Nearest Neighbor ◽  
Scattering Method ◽  
X Ray ◽  
Coordination Numbers ◽  
Atomic Structures ◽  
X Ray Scattering ◽  
Icosahedral Clusters ◽  
Ray Scattering

AbstractLocal atomic structures around Zr and Pt in a quasicrystalline Zr80Pt20alloy, and amorphous and quasicrystalline Zr70Ni10Pt20alloys have been determined by the anomalous x-ray scattering (AXS) method. A distinct prepeak observed in an intensity profile of the amorphous Zr70Ni10Pt20alloy indicates existence of strong chemical short-range order (CSRO) clusters in the amorphous phase. Total coordination numbers around Zr and Pt in a nearest neighbor region in both alloys have been evaluated. The values around Pt are almost equal to 12 in the amorphous and quasicrystalline states suggest formation of icosahedral clusters around Pt. Some of crystalline structures formed from the quasicrystalline phases by annealing consist of icosahedral clusters of Zr and Ni atoms, or polyhedral clusters of Zr and Pt atoms similar with icosahedral clusters. The present result appears to support that the phase transformation from the amorphous to the crystal through the quasicrystal is explained by the icosahedral CSRO clusters in the amorphous and quasicrystalline states.

Spin fluctuations in amorphous La(NixAl1-x)13alloys consisting of icosahedral clusters

1995 ◽  
Vol 7 (2) ◽  
pp. 401-412 ◽  
Author(s):  
A Fujita ◽  
K Fukamichi ◽  
H Aruga-Katori ◽  
T Goto
Keyword(s):  
Spin Fluctuations ◽  
Icosahedral Clusters

A theoretical study of the structures and optical spectra of helical copper–silver clusters

2014 ◽  
Vol 16 (39) ◽  
pp. 21039-21048 ◽  
Author(s):  
Christopher J. Heard ◽  
Roy L. Johnston
Keyword(s):  
Significant Role ◽  
Theoretical Study ◽  
Response Spectra ◽  
Optical Response ◽  
Optical Spectra ◽  
Electronic Transitions ◽  
Silver Clusters ◽  
Local Geometry ◽  
Icosahedral Clusters

Optical response spectra of AgnCu13−n+ Bernal spiral clusters show subtle variations by dopant site and loading. Comparison to nanorod-like and icosahedral clusters shows local geometry plays a significant role in electronic transitions at the sub-nanoscale.

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