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

Emily A.A. Jarvis; Emily A. Carter

doi:10.1111/j.1151-2916.2003.tb03309.x

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

Emily A.A. Jarvis, Emily A. Carter

Research output: Contribution to journal › Article › peer-review

38 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 language	English (US)
Pages (from-to)	373-386
Number of pages	14
Journal	Journal of the American Ceramic Society
Volume	86
Issue number	3
DOIs	https://doi.org/10.1111/j.1151-2916.2003.tb03309.x
State	Published - Mar 2003
Externally published	Yes

All Science Journal Classification (ASJC) codes

Ceramics and Composites
Materials Chemistry

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10.1111/j.1151-2916.2003.tb03309.x

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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.",

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AB - 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.

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

Abstract

All Science Journal Classification (ASJC) codes

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