ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Ab initio pseudopotential calculations of Cu/Al2O3 and Au/TiO2 interfaces have revealed strong effects of interface stoichiometry. About the Cu/Al2O3 system used for coatings and electronic devices, the interfacial bond of the O-terminated (O-rich) Cu/Al2O3(0001) interface is very strong with ionic and covalent Cu-O interactions, although that of the Al-terminated (stoichiometric) one is rather weak with electrostatic and Cu-Al hybridization interactions. About the Au/TiO2 system with unique catalytic activity, the adhesive energy between non-stoichiometric (Ti-rich or O-rich) TiO2(110) surface and a Au layer is very large, and there occur substantial charge transfer and orbital hybridization, which should have close relations to the catalytic activity
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/11/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.502.27.pdf
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