Accession Number : ADA513575


Title :   Ab Initio Study on Atomic Structures and Physical Properties of CdSe Quantum Nanodots


Descriptive Note : Final rept. 24 Mar 2008-25 Nov 2009


Corporate Author : NIHON GENE RESEARCH LABS INC SENDAI (JAPAN)


Personal Author(s) : Nakagawara, Kanichi ; Kawazoe, Yoshiyuki


Full Text : http://www.dtic.mil/get-tr-doc/pdf?AD=ADA513575


Report Date : 25 NOV 2009


Pagination or Media Count : 5


Abstract : 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 ((CdSe)13, (CdSe)19, (CdSe)33 and (CdSe)34). Effects of organic ligand binding on the stability of CdSe as well as CdSe/ZnS nanoparticles with both crystalline and fullerene-like structures were also examined. Also predicted and documented were the AIIBVI (AII=Cd, Zn; BVI=S, Se, Te) structures with same basic design feature evident in current systems namely core and shell (cage) as in the case of (CdSe)13 and (CdSe)34. In related work, structure and electronic properties of ZnO clusters with specific composition identified by mass spectrometry were examined.


Descriptors :   *QUANTUM DOTS , *NANOPARTICLES , *STABILITY , PHYSICAL PROPERTIES , LIGANDS , ATOMIC STRUCTURE , POLYCRYSTALLINE , MASS SPECTROMETRY , CHEMICAL PROPERTIES , SIMULATION , MATHEMATICAL MODELS , FULLERENES


Subject Categories : MISCELLANEOUS MATERIALS
      THEORETICAL MATHEMATICS
      ATOMIC AND MOLECULAR PHYSICS AND SPECTROSCOPY


Distribution Statement : APPROVED FOR PUBLIC RELEASE