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
Electronic Structure of Cubic Refractory Carbides
TL;DR: In this article, a model of the electronic structure of cubic refractory carbides is presented based on an interpretation of the experimental data by using selfconsistent field calculations on free atoms and ions and supported by an approximately self-consistent augmented plane wave calculation on TiC.
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487. Molybdenum(II) carboxylates
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Electronic structure of tungsten carbide and its catalytic behavior
TL;DR: In this paper, the platinum-like catalytic activity of WC was reconciled by using soft X-ray appearance potential spectroscopy to reconcile the different observations concerning the platinumlike electronic structure found in Xray photoelectron spectra.
Journal ArticleDOI
Catalytic hydrotreating of indole, benzothiophene, and benzofuran over Mo2N
Hiroshi Abe,Alexis T. Bell +1 more
TL;DR: In this article, the activity of Mo2N for heteroatom removal from benzofuran, benzothiophene, and indole has been investigated and γ-Mo2N is found to be an effective catalyst in all three cases.
Journal ArticleDOI
The lanthanum—boron system
Robert W. Johnson,A. H. Daane +1 more
TL;DR: In this article, a phase diagram for the lanthanum-boron system was proposed from thermal metallographic x-ray and electrical resistance data, and two compounds were formed, LaB/sub 4/ and LaB /sub 6/, which decomposes peritectically at 1800 plus or minus 15 deg.