Ab Initio Study on Atomic Structures and Physical Properties of CdSe Quantum Nanodots
Final rept. 24 Mar 2008-25 Nov 2009
NIHON GENE RESEARCH LABS INC SENDAI (JAPAN)
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The report covers simulation studies on important physical and chemical properties of CdSe quantum nanodots. Optical absorption spectra were obtained for CdSe quantum dots, with magic number CdSe13, CdSe19, CdSe33 and CdSe34. Effects of organic ligand binding on the stability of CdSe as well as CdSeZnS nanoparticles with both crystalline and fullerene-like structures were also examined. Also predicted and documented were the AIIBVI AIICd, Zn BVIS, Se, Te structures with same basic design feature evident in current systems namely core and shell cage as in the case of CdSe13 and CdSe34. In related work, structure and electronic properties of ZnO clusters with specific composition identified by mass spectrometry were examined.
- Miscellaneous Materials
- Theoretical Mathematics
- Atomic and Molecular Physics and Spectroscopy