Exploiting covalency to enhance metal-oxide and oxide-oxide adhesion at heterogeneous interfaces

Emily A.A. Jarvis, Emily A. Carter

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

We employ first-principles density functional calculations to explore atomic-level interactions and predict the ideal work of adhesion at the SiO2/nickel and ZrO2/SiO2 interfaces. We find that chemical bonding at the interface serves to strengthen significantly interfaces formed with SiO2, which exhibits significant covalent bonding character, relative to those formed using more ionic oxides, such as Al2O3, in place of SiO2. The improved strength of these interfaces due to local bonding interactions may hold materials design implications for practical applications that require optimal adhesion between metal-ceramic layered structures, including thermal barrier coatings.

Original languageEnglish (US)
Pages (from-to)373-386
Number of pages14
JournalJournal of the American Ceramic Society
Volume86
Issue number3
DOIs
StatePublished - Mar 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

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