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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Journal ArticleDOI
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
Solid Film Deposition and Non-Sacrificial Boundary Lubrication
TL;DR: In this paper, the results of studying various approaches in non-sacrificial boundary lubrication in which the deposition of a beneficial surface layer is the result of a chemical reaction involving one or more components in the lubricating fluid but not the metal surface itself were reported.
Journal ArticleDOI
The paramagnetic properties of the monoborides of V, Cr, Mn, Fe, Co and Ni
TL;DR: In this article, a three-band model involving a broad shallow conduction band, a narrow dense 3d band and a bonding band capable of containing two electrons per boride unit was proposed.
Journal ArticleDOI
Effect of Molybdate Ion on the Repassivation Kinetics of Iron in Solutions Containing Chloride Ions
T. Kodama,J. R. Ambrose +1 more
TL;DR: In this article, the effect of molybdate ions on the repassivation kinetics of iron has been studied by measuring anodic current transients following in situ film removal by abrasion.