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 language | English (US) |
|---|---|
| Pages (from-to) | 3928-3936 |
| Number of pages | 9 |
| Journal | Advanced Materials |
| Volume | 28 |
| Issue number | 20 |
| DOIs | |
| State | Published - May 25 2016 |
| Externally published | Yes |
Keywords
- charge separation
- charge transfer
- density functional theory
- hybrid interfaces
- zinc vacancies
ASJC Scopus subject areas
- General Materials Science
- Mechanics of Materials
- Mechanical Engineering
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