Abstract
Previous studies have shown that the nano-crystallization process has an appreciable impact on the luminescence properties of nanocrystals, which determines their defect state composition, size and morphology. This project aims to explore the influence of nanocrystal size on the electrical and optical properties of Cr2+:ZnSe nanowires. A first-principles study of Cr2+:ZnSe nanowires with different sizes was carried out at 0 K in the density functional framework. The Cr2+ ion was found to prefer to reside at the surface of ZnSe nanowires. As the size of the nanocrystals decreased, a considerable short-wave-length shift in the absorption of the vis-near infrared wavelength was observed. A quantum mechanism for the wavelength tunability was discussed.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Sichuan Province
Subject
General Materials Science,General Chemical Engineering
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