Bond strength and interface energy between Pd membranes and TiAl supports

Gong, H. R.; He, Y. H.; Huang, B. Y.
September 2008
Applied Physics Letters;9/8/2008, Vol. 93 Issue 10, p101907
Academic Journal
Intermetallic TiAl alloy is proposed as a promising support for Pd membranes. First principles calculations reveal that coherent Pd/TiAl interfaces possess high values of bond strengths. Calculations also show that Ti-terminated (100) Pd/(100) TiAl and (110) Pd/(110) TiAl interfaces are energetically favorable with negative interface energies of about -3.1 J/m2, and that the bond strengths of Pd–Ti are bigger than those of Pd–Al. In addition, densities of states calculations suggest that a stronger chemical bonding is formed in the Pd/TiAl interface than corresponding Pd or TiAl bulks, which agrees well with similar experimental observations in literature.


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