Book ChapterDOI
Occurrence, Extraction, Production and uses of Molybdenum
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This article is published in Studies in Inorganic Chemistry.The article was published on 1994-01-01. It has received 10 citations till now. The article focuses on the topics: Extraction (chemistry) & Molybdenum.read more
Citations
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Properties of oxygen sites at the MoO_3(010) surface: density functional theory cluster studies and photoemission experiments
Renata Tokarz-Sobieraj,Klaus Hermann,Malgorzata Witko,Andreas Blume,Gerhard Mestl,Robert Schlögl +5 more
TL;DR: In this article, a density functional theory (DFT) analysis of the O 2sp dominated valence band region of MoO 3 was carried out to examine the electronic structure of the oxide systems.
Journal ArticleDOI
An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3
TL;DR: In this paper, the structure and electronic properties of the α-MoO3 were studied with periodic LAPW calculations with the results in excellent agreement with the reported experimental pseudo-cubic results.
Journal ArticleDOI
Surface oxygen in catalysts based on transition metal oxides: What can we learn from cluster DFT calculations?
TL;DR: In this paper, the authors performed cluster model studies by means of ab initio DFT method to examine electronic properties of different surface O atoms in several V2O5 and MoO3 systems and correlate them with catalytic behavior.
Journal ArticleDOI
Electronic structure of MoO2. DFT periodic and cluster model studies
TL;DR: In this paper, the electronic properties of MoO 2 bulk and (0, 1, 1) surface are discussed. But the surface retains the metallic character of the bulk, and it is found that Fermi level is located within the band dominated by d molybdenum orbitals.
Journal ArticleDOI
Formation of one-dimensional molybdenum oxide on Mo(112)
Sarp Kaya,Jonas Weissenrieder,Dario Stacchiola,Tanya K. Todorova,Marek Sierka,Joachim Sauer,Shamil K. Shaikhutdinov,Hans-Joachim Freund +7 more
TL;DR: In this article, the atomic structure of a reconstructed Mo(1/1/2)-O(2/2/3) surface has been revisited using photoelectron spectroscopy with synchrotron radiation, scanning tunneling microscopy, infrared reflection absorption spectrography and density functional theory.
References
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Journal ArticleDOI
The molybdenum-nitrogen phase diagram
Hermann Jehn,Peter Ettmayer +1 more
TL;DR: In this paper, the solubility of N 2 in Mo(1) and the liquidus line (α + L) L have been calculated on the basis of existing data.
Journal ArticleDOI
Electron Requirements of Bonds in Metal Borides
TL;DR: In this paper, the Hall coefficients of the boron atoms in the four boride types represented were measured and found to correspond to one free electron per yttrium atom in each compound.
Journal ArticleDOI
The Role of Alloyed Molybdenum in Austenitic Stainless Steels in the Inhibition of Pitting in Neutral Halide Solutions
TL;DR: In the passive region of austenitic stainless steels alloyed with Mo, the formation of MoO42− ions can be expected in neutral halide solutions by the transpassive dissolution of Mo as discussed by the authors.
Journal ArticleDOI
Band Structure and the Titanium LII, III X‐Ray Emission and Absorption Spectra from Pure Metal, Oxides, Nitride, Carbide, and Boride
David W. Fischer,William L. Baun +1 more
TL;DR: In this paper, the authors used a plane-crystal vacuum spectrometer with electron-beam excitation and flow-proportional counter detection to study the titanium LII, III x-ray emission and absorption spectra (λ∼27.5 A).