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Abstract:
Using the first-principles calculation, we explore the interfacial characteristics of ZnO monolayer on the Cu(111) surface with and without oxygen vacancy. It is found that electrons transfer from the Cu substrate towards the ZnO monolayer and the different position of O atoms relative to the Cu surface determine the interfacial interaction and then turn a flat graphitic ZnO monolayer into an asymmetrical dumpling structure. The oxygen vacancy is not only the result of substrate stabilisation effect but also strengthen the interfacial interaction to make charge transfer mechanism and dumpling effect dominant to the compression effect, thus resulting in an overall increase of Cu work function and the decreasing of potential step. [GRAPHICS] .
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Source :
MOLECULAR PHYSICS
ISSN: 0026-8976
Year: 2019
Issue: 4
Volume: 118
1 . 7 6 7
JCR@2019
1 . 6 0 0
JCR@2023
ESI Discipline: PHYSICS;
ESI HC Threshold:138
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 0
SCOPUS Cited Count: 1
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 1
Affiliated Colleges: