Importance of open-shell effects in adhesion at metal-ceramic interfaces

被引:27
作者
Jarvis, EA [1 ]
Carter, EA [1 ]
机构
[1] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA
来源
PHYSICAL REVIEW B | 2002年 / 66卷 / 10期
关键词
D O I
10.1103/PhysRevB.66.100103
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We demonstrate markedly enhanced adhesion between oxide ceramics and conducting metals via promoting open-shell electronic structure at the interface, by using a more covalent oxide or doping with early transition metals. Open-shell character suppresses closed-shell repulsions and permits local covalent and/or donor-acceptor bonding, even in the absence of a conventional reaction layer. The dramatic impact of such local bonding attractions, predicted from density-functional calculations, contradicts the idea of classical electrostatic forces dominating metal-oxide adhesion.
引用
收藏
页码:1001031 / 1001034
页数:4
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