Tungsten electronic structures

Loucks, T.L. (1966) Relativistic Electronic Structure in Crystals. II. Eermi Surface of Tungsten. Physical Review, 143, 506-512. 

Electronic Structure and Spectroscopic Properties of Molybdenum and Tungsten N2, NNH, NNH2, and NNH3 Complexes with Diphosphine Co-Ligands Insights into the End-on Terminal Reduction Pathway of Di nitrogen Felix Tuczek... 

The effect of electron transfer between tungsten oxide and titanium oxide is also important in photochromatic applications. In an excellent study of aqueous sols. He et al. analyze the electronic structure of the tungsten oxide-titanium oxide system, finding that titanium oxide can catalyze the generation of W+. This state is a colored state and can be generated from WO3 WH2O by the following reactions ... 

It is also worthy to note that the pentacarbonyl-tungsten complex of the phosphirenylium cation (5) has been recently reported, but no X-ray structure has been obtained. B3LYP/6-311G(d) optimization of the presumed -Cr(CO)5 complex of 5 resulted in an 7 -form (Figure 1) when starting from the bound chromium complex. Such a structure is in complete accord with a delocalized electronic structure of the cation. 

The [WsXg]44 clusters are diamagnetic and with the 24 available metal electrons there is a metal-metal bond of order one between each pair of tungsten atoms, in agreement with theoretical treatment of the electronic structure of these clusters.354,355... 

It is clear that the Auger peaks of carbon and tungsten are different in the film and the tungsten foil, indicating changes in their electronic structure. This change in the valence band in tungsten carbide may be associated with the peculiar catalytic properties of this compound.1... 

The transition metal carbides (TMC) are interesting because of their prominent properties such as great hardness, high electrical and thermal conductivities, stable field-electron emission1 and efficient catalysis.2 These properties are closely related to their electronic structures, yet the Fermi surfaces of TMC are not yet well established experimentally. In the case of hexagonal tungsten carbide (WC), there is only one reported experiment on the observation of de Haas-van Alphen oscillations.3... 

To obtain realistic tip models, DFT calculations of the electronic structure of fully relaxed tungsten films with one or two surface layers of either tungsten atoms or adsorbates have proven to be the most suitable choice [22,23], The adsorbates so far considered include most transition metals. In single cases, where the (STM) tip was covered by 10-20 layers of Fe, the tip has been modeled by a Fe(100) film covered by one atom or a layer plus one atom of sample surface atoms [24]. 

ELECTRONIC STRUCTURE AND SPECTROSCOPIC PROPERTIES OF MOLYBDENUM AND TUNGSTEN N2, NNH, NNH2i AND NNH3 COMPLEXES WITH DIPHOSPHINE CO-LIGANDS INSIGHTS INTO THE END-ON TERMINAL REDUCTION PATHWAY OF DINITROGEN... 

Invited 11. H. Yukawa, M. Maeda, M. Morinaga and S. Inoue (Nagoya University, Numazu National College of Technology) Alloying Effects on the Electronic Structures of Tungsten... 

Tungsten carbide — WC, belongs to a class of Group IV B-VIB transition metal carbides and nitrides, often referred to as interstitial alloys, in which the carbon and nitrogen atoms occupy the interstitial lattice positions of the metal [i]. These compounds possess properties known from group VIII B precious metals like platinum and palladium [ii]. Thus, they show remarkable catalytic activities, attributed to a distinct electronic structure induced by the presence of carbon or nitrogen in the metal lattice. Tungsten carbide resembles platinum in its electrocatalytic oxidation activity (- electrocatalysis) and is therefore often considered as an inexpensive anode electrocatalyst for fuel cell [iii] and -> biofuel cell [iv] application. 

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