Lennard-Jones Centre for Computational Materials Science

A density functional study of the effect of hydrogen on the strength of an epitaxial Ag/ZnO interface

Lin, ZS and Bristowe, PD (2007) A density functional study of the effect of hydrogen on the strength of an epitaxial Ag/ZnO interface. Journal of Applied Physics, 102. ISSN 0021-8979

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Abstract

A density functional calculation of a Ag (111)/ZnO (0001) interface with 30 degrees rotated epitaxy reveals that the strength of the interface, as determined from the work of separation, is significantly lowered by the presence of hydrogen. This interface has been observed in magnetron sputtered thin-film systems and could be present in optical multilayers used to coat architectural glass for solar-control and energy efficiency. The weakening of the hydrogen-modified interface, which originates in the Ag-H bond, could partly explain the observed delamination of the interface during processing or service in a hydrogen-rich or humid environment. (c) 2007 American Institute of Physics.

Item Type: Article
Uncontrolled Keywords: low-emissivity coatings silver
Subjects: UNSPECIFIED
Divisions: UNSPECIFIED
Depositing User: Unnamed user with email sms67@eng.cam.ac.uk
Date Deposited: 05 Mar 2014 14:42
Last Modified: 17 Jun 2021 15:42
DOI: 10.1063/1.2815646

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