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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Neutron powder diffraction studies of transition metal hemicarbides M2C1−x—II. In situ high temperature study on W2C1−x and Mo2C1−x
TL;DR: In this article, the experimental background for a high temperature neutron powder diffraction study of transition metal hemicarbides M2C1−x having various compositions was presented, and the results showed that the disordering of this ϵ-phase occurs through a second order transition at elevated temperatures.
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Thermal decomposition of (NH4)2MoO2S2, (NH4)2MoS4, (NH4)2WO2S2 and (NH4)2WS4
TL;DR: In this article, the thermal decomposition of tetrathio compounds was studied using DTA and TGA methods, and the formal energies of activation which qualitatively describe the thermal properties of the compounds and the heat of decomposition for the first reaction step were calculated from the decomposition curves.
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Chromium, molybdenum, and tungsten: thermodynamic properties, chemical equilibriums, and standard potentials
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Preparation of high-surface-area transition-metal nitrides: molybdenum nitrides, Mo2N and MoN
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Synthesis of molybdenum silicides by the self-propagating combustion method
S. Zhang,Zuhair A. Munir +1 more
TL;DR: In this article, the synthesis of the silicides of molybdenum (Mo3Si, Mo5Si3, and MoSi2) by self-propagating combustion method is investigated.