Molecular and electronic structures of some trimers of polyhedral carbon clusters

1998 ◽  
Vol 47 (1) ◽  
pp. 1-7 ◽  
Author(s):  
E. G. Gal'pern ◽  
I. V. Stankevich ◽  
A. L. Chistyakov ◽  
L. A. Chernozatonskii
Keyword(s):  
Electronic Structures ◽  
Carbon Clusters

The Geometric and Electronic Structures of Niobium Carbon Clusters

2001 ◽  
Vol 105 (13) ◽  
pp. 3340-3358 ◽  
Author(s):  
Hugh Harris ◽  
Ian Dance
Keyword(s):  
Electronic Structures ◽  
Carbon Clusters

Systematics of fullerenes and related clusters

1993 ◽  
Vol 343 (1667) ◽  
pp. 39-52 ◽  
Keyword(s):  
Electronic Structures ◽  
Present Author ◽  
Water Clusters ◽  
Magic Number ◽  
Carbon Clusters ◽  
Geometric Shapes ◽  
Doped Fullerenes ◽  
Point Groups ◽  
Spectroscopic Signatures ◽  
Boron Nitrogen

Qualitative theoretical treatments of the fullerene family of molecules can be used to count possible isomers and predict their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated by the ring-spiral algorithm due to D. E. Manolopoulos. Geometrically based magic number rules devised by the present author account for all electronically closed π shells within the Hiickel approximation and these ‘leapfrog’ and ‘cylinder’ rules apply to the wider class of ‘fulleroid’ structures constructed with rings of other sizes. Extrapolations from the theory of carbon clusters are described for doped fullerenes, metallocarbohedrenes, fully substituted boron-nitrogen heterofullerenes and decorated-fullerene models for water clusters.

The Nature of Oxide Surfaces: Topographic and Electronic Structure

1993 ◽  
Vol 51 ◽  
pp. 966-967
Author(s):  
Dawn A. Bonnell ◽  
Yong Liang
Keyword(s):  
Transition Metal Oxides ◽  
Electronic Structures ◽  
Recent Progress ◽  
Spatial Localization ◽  
Level Of Detail ◽  
Scanning Tunneling ◽  
Oxide Surfaces ◽  
Tunneling Microscopy ◽  
Considerable Effort ◽  
Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

Advanced Electronic Structures

1992 ◽  
Author(s):  
Mark van Schilfgaarde
Keyword(s):  
Electronic Structures
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