Journal
ACS NANO
Volume 7, Issue 2, Pages 1454-1463Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn3052296
Keywords
wurtzite; Cu2ZnSnS4; Cu2ZnSnSe4; alloy; Cu2ZnSn(S1-xSex)(4); miscibility; band gap; nanocrystal
Categories
Funding
- National Basic Research Program of China [2010CB934700, 2012CB921401]
- National Natural Science Foundation of China [91022032, 912271032, 21061160492]
- Chinese Academy of Sciences [KJZD-EW-M01-1]
- International Science & Technology Cooperation Program of China [2010DFA41170]
- National Synchrotron Radiation Laboratory at the University of Science and Technology of China
- Fundamental Research Funds for the Central Universities
- NSFC [61106087, 10934002]
- U.S. DOE/SC/BES [DE-AC02-05CH11231]
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The wurtzite-derived Cu2InSn(S1-xSex)(4) alloys are studied for the first time through combining theoretical calculations and experimental characterizations. Ab initio calculations predict that wurtzite-derived Cu2ZnSnS4 and Cu2ZnSnSe4 are highly miscible, and the band gaps of the mixed-anion alloys can be linearly tuned from 1.0 to 1.5 eV through changing the composition parameter x from 0 to 1. A synthetic procedure for the wurtzite-derived Cu2ZnSn(S1-xSex)(4) alloy nanocrystals with tunable compositions has been developed. A linear tunable band-gap range of 0.5 eV is observed in the synthesized alloy nanocrystals, which shows good agreement with the ab initio calculations.
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