Thermochemistry of alloys of transition metals and lanthanide metals with some IIIB and IVB elements in the periodic table

Meschel, S.V.; Kleppa, O. J.

doi:10.1016/s0925-8388(01)00966-5

Cited by 136 publications

(71 citation statements)

References 67 publications

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“…The calculated values are given for the ground state structure and also for the nearest metastable structure. In the whole, there is an agreement between the experimental and the calculated values and we can emphasize the nice agreement with the calorimetric values of the Kleppa's group [45,48,49,[57][58][59][60][61]64]. This agreement is very good for diborides of transition metals of Ti and V columns.…”

Section: Resultssupporting

confidence: 79%

Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

Colinet

Tedenac

2015

Crystals

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Abstract:The enthalpies of formation of transition metals diborides in various structures have been obtained from density functional theory (DFT) calculations in order to determine the ground state at T = 0 K and p = 0. The evolution of the enthalpies of formation along the 3D, 4D, and 5D series has been correlated to the considered crystal structures. In the whole, the calculated values of the enthalpies of formation of the diborides in their ground state are in good agreement with the experimental ones when available. The calculated values of the lattice parameters at T = 0 K of the ground state agree well with the experimental values. The total and partial electronic densities of states have been computed. Special features of the transition metal electronic partial density of states have been evidenced and correlated to the local environment of the atoms.

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Section: Resultssupporting

confidence: 79%

Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

Colinet

Tedenac

2015

Crystals

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“…CoSi 2 is a commonly used contact material in integrated circuit fabrication. [30][31][32][33][34][35][36][37] We recently found that CoSi 2 is a promising candidate to combine favorable surface energetics and chemical stability. 26 In this paper, we evaluate Co-silicides further as supports for high density CNT growth by employing in situ chemical and structural characterization techniques to study the evolution of the silicide-catalyst-gas system during CNT forest growth.…”

mentioning

confidence: 99%

In-situ study of growth of carbon nanotube forests on conductive CoSi2 support

Bayer

Zhang

Blume

et al. 2011

Journal of Applied Physics

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The growth of high density vertically aligned carbon nanotube forests on conductive CoSi2 substrate layers is characterized by in situ x-ray photoemission spectroscopy and x-ray diffraction. We use in situ silicidation to transform as loaded, low conductivity CoSi supports to highly conductive CoSi2 during nanotube growth. These cobalt silicide films are found to be stable against oxidation and carbide formation during growth and act as an excellent metallic support for growth of aligned nanotubes, resembling the growth on the insulating Fe/Al2O3 benchmark system. The good catalytic activity is attributed to interfacial reactions of the Fe catalyst particles with the underlying CoSi2 support. We obtain ohmic conduction from the support layer to the carbon nanotube forest.

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“…The standard enthalpies of formation of iron-group carbides were reported in [9,10] to be positive, which is at variance with the experimentally determined enthalpies of mixing of Fe-C, Co-C, and Ni-C melts [6]. The point is that, at atmospheric pressure, the iron-group carbides either are metastable or exist only at relatively low temperatures.…”

Section: G Kudin and V A Makaramentioning

confidence: 61%

“…This approach appears very attractive for characterizing liquid alloys difficult to study experimentally (high-melting-point, aggressive, and volatile alloys). In connection with this, we estimated the mixing enthalpies of a number of binary carbon-containing melts from the available ∆ f H 0 (298 K) data for the corresponding carbides [9,10]. Table 2 lists the experimentally determined (marked by asterisks) and calculated enthalpies of mixing of carbon-containing melts at different mole fractions of carbon (indicated in parentheses).…”

Section: G Kudin and V A Makaramentioning

confidence: 99%

Thermodynamic Properties of Metal-Carbon Melts

Кудин

Макара

2005

Inorg Mater

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The partial and total enthalpies of mixing of Si-C and Ni-C liquid alloys at 2000 K are determined by isoperibol calorimetry. The mixing enthalpies in these systems are found to be small and negative, in agreement with earlier results. The thermochemical properties of dilute Al-C solutions are studied at 1773 K for the first time. The mixing enthalpies of metal-carbon melts are estimated from the standard enthalpies of formation of metal carbides. The calculated mixing enthalpies of liquid metal-carbon alloys agree with experimental data.

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Thermochemistry of alloys of transition metals and lanthanide metals with some IIIB and IVB elements in the periodic table

Cited by 136 publications

References 67 publications

Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

In-situ study of growth of carbon nanotube forests on conductive CoSi2 support

Thermodynamic Properties of Metal-Carbon Melts

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