期刊
ACS APPLIED MATERIALS & INTERFACES
卷 7, 期 19, 页码 10617-10622出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.5b02545
关键词
nanocrystals; scanning tunneling spectroscopy; DFT calculations; zinc oxide; defects
资金
- KU Leuven by the Research Foundation-Flanders (FWO, Belgium)
- Flemish Concerted Research Action (BOF KU Leuven) [GOA/14/007]
- Hercules Foundation
- Flemish Government (EWI Department)
- National Natural Science Foundation of China [61275144, 51202217]
Ultrafine ZnO nanocrystals with a thickness down to 0.25 nm are grown by a metalorganic chemical vapor deposition method. Electronic band structures and native point defects of ZnO nanocrystals are studied by a combination of scanning tunneling microscopy/spectroscopy and first-principles density functional theory calculations. Below a critical thickness of nm ZnO adopts a graphitic-like structure and exhibits a wide band gap similar to its wurtzite counterpart. The hexagonal wurtzite structure, with a well-developed band gap evident from scanning tunneling spectroscopy, is established for a thickness starting from similar to 1.4 nm. With further increase of the thickness to 2 nm, V-O-V-Zn defect pairs are easily produced in ZnO nanocrystals due to the self-compensation effect in highly doped semiconductors.
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