Noble Gas Clusters Doped with a Metal Ion I:  Ab Initio Studies of Na+Arn

2004 ◽  
Vol 108 (4) ◽  
pp. 683-690 ◽  
Author(s):  
Takeshi Nagata ◽  
Mutsumi Aoyagi ◽  
Suehiro Iwata
Keyword(s):  
Ab Initio ◽  
Metal Ion ◽  
Noble Gas ◽  
Gas Clusters

scholarly journals Ion-Size Effects in the Growth Sequences of Metal-Ion-Doped Noble Gas Clusters

1997 ◽  
Vol 17 (2) ◽  
pp. 109-122 ◽  
Author(s):  
Christian Lüder ◽  
Dimitris Prekas ◽  
Michalis Velegrakis
Keyword(s):  
Metal Ion ◽  
Mass Spectra ◽  
Noble Gas ◽  
Magic Number ◽  
Sphere Packing ◽  
Cluster Ions ◽  
Magic Numbers ◽  
Gas Clusters ◽  
The Stability ◽  
Ion Size

We have studied the stability and the structure of doped noble gas cluster ions of the type M+Xn, (M=In, Al, Na, X=Ar, Kr, Xe) by systematically changing the composition M/X and observing changes in the magic number patterns appearing in the mass spectra. When the metal ion radius is comparable to the radius of the noble gas atom, the mass spectra show the familar icosahedral magic numbers n+ 1=13,19,23,26,29,32, 46, 55,... In constrast, for metal ions with radii significantly smaller than the noble gas atoms, we observe a new series of magic numbers n + 9, 11, 17, 21,24, 26,... This series converts into the icosahedral one for larger clusters. Using a simple hard sphere packing model, we show that this new series of magic numbers is consistent with a cluster growth sequence which is based on a capped square antiprism (CSA) geometrical structure of the clusters.

Ab initio investigations on metal ion pre-intercalation strategy of layered V2O5 cathode for magnesium-ion batteries

2021 ◽  
pp. 150983
Author(s):  
Jingdong Yang ◽  
Xiao Wang ◽  
Jinxing Wang ◽  
Xiaoyang Dong ◽  
Ling Zhu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Metal Ion ◽  
Magnesium Ion ◽  
Magnesium Ion Batteries

An ab initio study of some noble gas monohalides

2001 ◽  
Vol 114 (5) ◽  
pp. 2219-2227 ◽  
Author(s):  
Gerald J. Hoffman ◽  
Mitchell Colletto
Keyword(s):  
Ab Initio ◽  
Noble Gas ◽  
Ab Initio Study

Characterization of Nanoclusters in MgO Created by Means of Ion Implantation.

2003 ◽  
Vol 792 ◽  
Author(s):  
M.A. van Huis ◽  
A. van Veen ◽  
H. Schut ◽  
B.J. Kooi ◽  
J.Th.M. De Hosson
Keyword(s):  
Optical Absorption ◽  
Ion Implantation ◽  
Noble Gas ◽  
Optical Absorption Spectroscopy ◽  
Metal Nanoclusters ◽  
Absorption Bands ◽  
Cross Sectional ◽  
Salt Structure ◽  
Scherrer Formula ◽  
Gas Clusters

ABSTRACTMetal nanoclusters (NCs) of lithium, zinc, silver and gold embedded in MgO were created by means of ion implantation of Li, Zn, Ag and Au ions into single crystals of MgO(100) and subsequent thermal annealing. Nanoclusters of the compound semiconductor CdSe were obtained by implantation of both Cd and Se ions. Solid noble gas clusters were formed by Kr ion implantation. Optical and structural properties of the NCs were investigated using optical absorption spectroscopy (OAS), high-resolution X-ray diffraction (XRD) and cross-sectional transmission electron microscopy (XTEM). The mean nanocluster size is estimated from the broadening of the Mie plasmon optical absorption bands using the Doyle formula. These results are compared with the NC size as obtained from XRD (using the Scherrer formula) and from direct XTEM observations. The three methods are found to be in reasonable agreement with a mean size of 4.0 and 10 nm found for the Au and Ag clusters, respectively. Using TEM observations, the relative interface energies of MgO//Au and MgO//Ag interfaces are also determined. In the case of MgO//Au, they are found not to be in agreement with theoretical predictions in the literature. CdSe nanoclusters were found to adopt different crystal structures dependent on the size. Small ones (<5 nm) appear to have a rock salt structure, larger ones the sphalerite structure. The solid krypton NC's are under high pressure. The pressure of individual Krypton bubbles was determined from the moiré fringes

Sputtering of thin benzene films by large noble gas clusters

2009 ◽  
Vol 267 (8-9) ◽  
pp. 1436-1439 ◽  
Author(s):  
L. Rzeznik ◽  
B. Czerwinski ◽  
R. Paruch ◽  
B.J. Garrison ◽  
Z. Postawa
Keyword(s):  
Noble Gas ◽  
Gas Clusters

Ab Initio calculations applied to problems in metal ion chemistry

1996 ◽  
pp. 47-87 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Stephen R. Langhoff ◽  
Harry Partridge
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Metal Ion ◽  
Ion Chemistry
Sign in / Sign up

Export Citation Format

Share Document