Composition- and band-gap-tunable synthesis of wurtzite-derived Cu₂ZnSn(S(1-x)Se(x))₄ nanocrystals: theoretical and experimental insights.
The wurtzite-derived Cu₂ZnSn(S(1-x)Se(x))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(S(1-x)Se(x))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.
Division of Nanomaterials & Chemistry, Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemistry, University of Science and Technology of China, Hefei 230026, People's Republic of China.
Feng-Jia
FJ
Fan
Liang
L
Wu
Ming
M
Gong
Guangyao
G
Liu
Yi-Xiu
YX
Wang
Shu-Hong
SH
Yu
Shiyou
S
Chen
Lin-Wang
LW
Wang
Xin-Gao
XG
Gong