Journal
CERAMICS INTERNATIONAL
Volume 43, Issue 18, Pages 16094-16100Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.ceramint.2017.08.142
Keywords
FeAl2O4; AIFe(2)O(4); First-principles; Electron work function
Categories
Funding
- Natural Science and Engineering Research Council of Canada
- WestGrid/Compute Canada
- Suncor Energy
- GIW Industries Inc.
- Camber Technology Corporation
- Shell Canada Ltd.
- Magna International Inc.
- Volant Products Inc. Chinese Scholarship Council
- National Natural Science Foundation of China [51372065, 51402083]
- Natural Science Foundation of Hebei Province [E2015202190]
- Key Laboratory of Inorganic Coating Materials, Chinese Academy of Sciences [KLICM-2013]
- Key Foundation for Science and Technology Research of Universities in Hebei Province, China [ZD20131018]
- Outstanding Youth Fund for Science and Technology Research of Universities in Hebei Province, China [YQ2014001]
- Science and Technology Program of Hebei Province, China [13211029]
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FeAl2O4 and AlFe2O4 have similar spinel structures but different atomic arrangements, leading to different properties. In this study, mechanical properties and structures of the two spinel phases in composite coatings prepared by reactive plasma spraying of Fe2O3-Al composite powder were investigated by means of multi -mode atomic force microscopy, X-ray diffraction, and scanning electron microscopy. It was demonstrated that AlFe2O4 was stronger than FeAl2O4 with a higher electron work function (EWF). First -principles calculations were conducted to understand the difference in mechanical properties between the two phases. It was shown that FeAl2O4 and AlFe2O4 have normal and inverse spinel structures with different configurations of valence electrons: Fe-tet(2+)(Al3+)(2)O-4 and Fe-tet(3+)(Fe2+Al3+)(oct)O-4. Compared to Fe-tet(2+)(Al3+)(2)O-4, Fe-tet(3+)(Fe2+Al3+)(oct)O-4 has its O and Fe atoms in the octahedral sites forming covalent bonds, which increase the stability and strength of the crystal, corresponding to higher EWF and larger bulk, shear and Young's moduli.
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