Premium
Exploiting Covalency to Enhance Metal–Oxide and Oxide–Oxide Adhesion at Heterogeneous Interfaces
Author(s) -
Jarvis Emily A. A.,
Carter Emily A.
Publication year - 2003
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.2003.tb03309.x
Subject(s) - oxide , ionic bonding , materials science , adhesion , covalent bond , ceramic , metal , chemical bond , density functional theory , nanotechnology , chemical engineering , chemical physics , composite material , ion , metallurgy , chemistry , computational chemistry , organic chemistry , engineering
We employ first‐principles density functional calculations to explore atomic‐level interactions and predict the ideal work of adhesion at the SiO 2 /nickel and ZrO 2 /SiO 2 interfaces. We find that chemical bonding at the interface serves to strengthen significantly interfaces formed with SiO 2 , which exhibits significant covalent bonding character, relative to those formed using more ionic oxides, such as Al 2 O 3 , in place of SiO 2 . 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.