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Synthesis of a new nanocrystalline titanium aluminum fluoride phase by reaction of Ti(2)AlC with hydrofluoric acid
Drexel University.
Drexel University.
Drexel University.
Drexel University.
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2011 (English)In: RSC ADVANCES, ISSN 2046-2069, Vol. 1, no 8, 1493-1499 p.Article in journal (Refereed) Published
Abstract [en]

A new nanocrystalline phase of titanium aluminum fluoride, with a stoichiometry of Ti(2)AlF(9)-exact stoichiometry measured herein is Ti(2.1)Al(0.9)F(9),-was synthesized by the fluorination of Ti(2)AlC in anhydrous hydrofluoric acid at 55 degrees C for 2 h. The results from X-ray diffraction, scanning and high-resolution transmission electron microscopy and selected area diffraction, together with crystal structure solution via simulated annealing, confirmed the formation of a nanocrystalline material with a trigonal structure belonging to the R3 space group. The structure can also be viewed as being comprised of corner-sharing octahedra that are arranged in a distorted simple cubic arrangement. Thermogravimetric analysis, in argon, indicates that this phase is stable up to approximate to 850 degrees C. Density functional theory calculations estimate the band gap to be approximate to 5 eV and the bulk modulus to be approximate to 109 GPa.

Place, publisher, year, edition, pages
RSC Publishing , 2011. Vol. 1, no 8, 1493-1499 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-72669DOI: 10.1039/c1ra00390aISI: 000296985800014OAI: diva2:461101
Funding Agencies|Office of Vehicle Technologies of the U.S. Department of Energy|DE-AC02-05CH112316951370|Commonwealth of Pennsylvanias Ben Franklin Technology Development Authority through the Ben Franklin Technology Partners of Southeastern Pennsylvania||Alexander von Humboldt foundation||NSF|DGE-0654313|SSF||Available from: 2011-12-02 Created: 2011-12-02 Last updated: 2011-12-02

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Lu, JunHultman, Lars
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