Defect Luminescence from Wurtzite CuInS2 Nanocrystals: Combined Experimental and Theoretical Analysis

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• 作者：Alice D. P. Leach ; Xiao Shen ; Adam Faust ; Matthew C. Cleveland ; Andrew D. La Croix ; Uri Banin ; Sokrates T. Pantelides ; Janet E. Macdonald
• 刊名：Journal of Physical Chemistry C
• 出版年：2016
• 出版时间：March 10, 2016
• 年：2016
• 卷：120
• 期：9
• 页码：5207-5212
• 全文大小：370K
• ISSN：1932-7455

文摘

CuInS₂ nanocrystals with the wurtzite structure show promise for applications requiring efficient energy transport due to their anisotropic crystal structure. We investigate the source of photoluminescence in the near-infrared spectral region recently observed from these nanocrystals. Spectroscopic studies of both wurtzite CuInS₂ itself and samples alloyed with Cd or Zn allow the assignment of this emission to a radiative point defect within the nanocrystal structure. Further, by varying the organic passivation layer on the material, we are able to determine that the atomic species responsible for nonradiative decay paths on the nanocrystal surface are Cu- or S-based. Density functional theory calculations of defect states within the material allow identification of the likely radiative species. Understanding both the electronic structure and optical properties of wurtzite CuInS₂ nanocrystals is necessary for their efficient integration into potential biological, photovoltaic, and photocatalytic applications.