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Neutron Diffraction Investigation of Hexagonal and Cubic Phases of System Ti-C-H

Carbon Nanomaterials in Clean Energy Hydrogen Systems, p.663-678

Springer Science + Business Media B.V. 2008 ;ISSN: 1874-6519 ;ISBN: 9781402088971 ;ISBN: 1402088973 ;EISBN: 1402088981 ;EISBN: 9781402088988 ;DOI: 10.1007/978-1-4020-8898-8_83

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  • Title:
    Neutron Diffraction Investigation of Hexagonal and Cubic Phases of System Ti-C-H
  • Author: Khidirov, I. ; Mirzaev, B. B. ; Mukhtarova, N. N. ; Kholmedov, KH. M. ; Zaginaichenko, S. YU ; Schur, D. V.
  • Subjects: disordered ; face-centered cubic phase ; hexagonal close-packed structure ; neutron diffraction ; ordered ; system Ti-C-H
  • Is Part Of: Carbon Nanomaterials in Clean Energy Hydrogen Systems, p.663-678
  • Description: It is established that at hardening from 1,000°C in samples TiCxHy at the concentration of carbon of 0.30 ≤ x ≤ 0.50 and at a ratio y ≥ x the ordered hexagonal close-packed (HCP)-structure and at y < x — face-centered cubic (FCC)-phase are stabilized. The crystal structure of the ordered HCP-phase corresponding to the formula Ti2C1-x′ H2-y′ (1-x′ = 2x; 2-y′ = 2y) is described in the framework of sp. gr. P3m1. Below 700°C the Ti2C1-x′H2-y′ -phase with concentration of carbon 0.30 ≤ x < 0.41 decayed with precipitation of the hydride phase TiH2. The ordered solid solution Ti2C1-x′ H2-y′ is stable at concentration 0.41 > C/Ti > 0.50 (close to stoichiometry on carbon Ti2C) but is metastable at concentrations 0.30 > C/Ti > 0.41. Compounds TiCxHy at concentrations 0.45 ≤ x ≤ 0.50 and y < x have both disordered (sp. gr. Fm3m) and ordered FCC-structure (sp. gr.Fd3m) depending on temperature. Cubic carbohydride TiC0.47H0.22 was prepared by means of quenching from 1,200°C followed by heat treatment using special regime for preventing the exit of hydrogen out of the lattice. It is shown that at the lower limit of homogeneity range of the cubic carbohydride hydrogen atoms occupy tetrahedral interstices 8(c) of the disordered cubic structure (sp. gr. Fm3m). It is found that carbon and hydrogen atoms are partially ordered when annealing at 900–800°C. In the ordered phase (sp. gr. Fd3m) carbon atoms occupy mainly (70%) octahedral interstices 16(c ) and 30% of carbon and the most part of hydrogen atoms — another type of octahedral interstices 16(d).
  • Publisher: Dordrecht: Springer Netherlands
  • Language: English
  • Identifier: ISSN: 1874-6519
    ISBN: 9781402088971
    ISBN: 1402088973
    EISBN: 1402088981
    EISBN: 9781402088988
    DOI: 10.1007/978-1-4020-8898-8_83
  • Source: Alma/SFX Local Collection
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