Structural and Thermodynamic Properties of TiCxNyOz Solid Solution: Experimental Study and First-Principles Approaches

Jiusan Xiao, Bo Jiang, Kai Huang, Shuqiang Jiao, Hongmin Zhu

研究成果: Article査読

7 被引用数 (Scopus)

抄録

A series of TiCxNyOz solid solutions were synthesized via solid-state reaction and XRD patterns exhibited a single phase of FCC structure over the whole concentration range. The structural and thermodynamic properties of TiCxNyOz solid solutions were studied using experimental method and first-principles calculations. The difference between the calculated and experimental lattice parameters could be attributed to the vacancies segregated in TiO part. The fitting formulae for lattice parameters and mixing enthalpies were firstly given for TiCxNyOz solid solution over the whole concentration range. The obtained thermodynamic data for TiCxNyOz solid solution properly explained the reaction sequence of the carbothermal reduction of TiO2, providing theoretical foundation for TiCxNyOz solid solution as a kind of prospective material for consuming anode utilized in USTB titanium electrolysis process.

本文言語English
ページ(範囲)4721-4731
ページ数11
ジャーナルMetallurgical and Materials Transactions A: Physical Metallurgy and Materials Science
47
9
DOI
出版ステータスPublished - 2016 9 1

ASJC Scopus subject areas

  • 凝縮系物理学
  • 材料力学
  • 金属および合金

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