scholarly journals Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures

2007 ◽  
Vol 80 (6) ◽  
pp. 1058-1074 ◽  
Author(s):  
Masaaki Mitsui ◽  
Atsushi Nakajima
Keyword(s):  
Electronic Structures ◽  
Molecular Cluster ◽  
Cluster Anions

Electronic Structure of Mercury, Gold and Platinum Impurities in Silicon

1985 ◽  
Vol 46 ◽  
Author(s):  
Jose R. Leite ◽  
Jose L.A. Alves
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Valence Band ◽  
Electronic Structures ◽  
Cluster Model ◽  
Tetrahedral Site ◽  
Shallow Donor ◽  
Molecular Cluster ◽  
Vacancy Model ◽  
Isoelectronic Impurities

AbstractThe electronic structures of substitutional and tetrahedral-site interstitial Hg+, Auo and Pt− isoelectronic impurities in silicon have been analysed. The centers are theoretically described by the Watson-sphereterminated molecular cluster model within the framework of the multiplescattering Xa formalism. At the substitutional sites the centers are related to the “vacancy” model recently proposed to describe the properties of the elements at the end of the transition-metal series. At the interstitialsites the impurities introduce a hyperdeep s-like level close to the bottom of the valence band and, in agreement with experiments, do not show shallow donor activities. For all the analysed centers the d-states remain fully occupied below, or within, the valence band.

scholarly journals Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures

2016 ◽  
Vol 7 (7) ◽  
pp. 4730-4735 ◽  
Author(s):  
Yan-Xia Zhao ◽  
Xiao-Na Li ◽  
Zhen Yuan ◽  
Qing-Yu Liu ◽  
Qiang Shi ◽  
...  
Keyword(s):  
Titanium Oxide ◽  
Electronic Structures ◽  
Active Sites ◽  
Closed Shell ◽  
Methane Activation ◽  
Cluster Anions ◽  
Oxide Cluster

The complementary active sites of Au+ and O2− ions on gold-doped titanium oxide clusters activate methane under thermal collision conditions.

The Mechanism of Slow Component Suppression in Lanthanum Doped Barium Fluoride Crystal

1994 ◽  
Vol 348 ◽  
Author(s):  
Gu Mu ◽  
Chen Lingyan ◽  
Li Qing ◽  
Wang Liming ◽  
Xiang Kaihua
Keyword(s):  
Electronic Structures ◽  
Cluster Model ◽  
Local Density ◽  
Slow Component ◽  
Barium Fluoride ◽  
Molecular Cluster ◽  
Entire System ◽  
Scintillation Light ◽  
Hartree Fock ◽  
Self Consistent

ABSTRACTThe electronic structures of pure BaF2 crystal and lanthanum doped BaF2 crystal have been calculated in a self-consistent molecular-cluster model. The cluster is embedded in the crystal lattice and the entire system treatediteratively in the Hartree-Fock-Slater local-density theory. As lanthanum doped BaF2 is concerned, the obtained results revealed that the F1–i which is introduced by the lanthanum may contribute to the suppression ofthe slow component in the scintillation light of BaF2 crystal.

Collision-induced reactions of size-selected molecular cluster anions

1993 ◽  
Vol 26 (1-4) ◽  
pp. 223-225 ◽  
Author(s):  
S. Nonose ◽  
J. Hirokawa ◽  
M. Ichihashi ◽  
M. Sakamoto ◽  
H. Tanaka ◽  
...  
Keyword(s):  
Molecular Cluster ◽  
Cluster Anions

Geometric and electronic structures of silicon–sodium binary clusters. II. Photoelectron spectroscopy of SinNam− cluster anions

1997 ◽  
Vol 107 (23) ◽  
pp. 10029-10043 ◽  
Author(s):  
Reiko Kishi ◽  
Hiroshi Kawamata ◽  
Yuichi Negishi ◽  
Suehiro Iwata ◽  
Atsushi Nakajima ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Cluster Anions ◽  
Binary 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.

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