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author:

Weng, Zhenzhen (Weng, Zhenzhen.) [1] (Scholars:翁臻臻) | Zhang, Caixia (Zhang, Caixia.) [2] (Scholars:张彩霞) | Huang, Zhigao (Huang, Zhigao.) [3]

Indexed by:

EI Scopus SCIE

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] .

Keyword:

Cu(111) First-principle oxygen vacancy work function ZnO

Community:

  • [ 1 ] [Weng, Zhenzhen]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350116, Fujian, Peoples R China
  • [ 2 ] [Zhang, Caixia]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350116, Fujian, Peoples R China
  • [ 3 ] [Huang, Zhigao]Fujian Normal Univ, Coll Phys & Energy, Fujian Prov Key Lab Quantum Manipulat & New Energ, Fuzhou 350117, Fujian, Peoples R China
  • [ 4 ] [Huang, Zhigao]Fujian Prov Collaborat Innovat Ctr Optoelect Semi, Xiamen 361005, Fujian, Peoples R China

Reprint 's Address:

  • 翁臻臻

    [Weng, Zhenzhen]Fuzhou Univ, Coll Phys & Informat Engn, Fuzhou 350116, Fujian, Peoples R China;;[Huang, Zhigao]Fujian Normal Univ, Coll Phys & Energy, Fujian Prov Key Lab Quantum Manipulat & New Energ, Fuzhou 350117, Fujian, Peoples R China;;[Huang, Zhigao]Fujian Prov Collaborat Innovat Ctr Optoelect Semi, Xiamen 361005, Fujian, Peoples R China

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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

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