Comparison of the Impact of Zinc Vacancies on Charge Separation and Charge Transfer at ZnO/Sexithienyl and ZnO/Fullerene Interfaces

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

The impact of surface zinc vacancies on charge transfer and charge separation at donor/ZnO and acceptor/ZnO interfaces is identified via density functional theory calculations. The results show their effect to be related to the stronger internal electric field present near these vacancies. Thus, such surface defects can have a significant negative impact on the performance of hybrid solar cells using ZnO as electron acceptors.

Original languageEnglish (US)
Pages (from-to)3928-3936
Number of pages9
JournalAdvanced Materials
Volume28
Issue number20
DOIs
StatePublished - May 25 2016
Externally publishedYes

Keywords

  • charge separation
  • charge transfer
  • density functional theory
  • hybrid interfaces
  • zinc vacancies

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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