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

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.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Nov 25, 2009
Accession Number
ADA513575

Entities

People

  • Kanichi Nakagawara
  • Yoshiyuki Kawazoe

Tags

DTIC Thesaurus Topics

  • Absorption
  • Absorption Spectra
  • Atomic Structure
  • Chemical Properties
  • Fullerenes
  • Mass Spectrometry
  • Materials
  • Materials Science
  • Nanomaterials
  • Nanoparticles
  • Nanotechnology
  • Optical Absorption
  • Physical Properties
  • Quantum Dots
  • Spectra
  • Spectrometry

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry

Technology Areas

  • Biotechnology
  • Microelectronics
  • Quantum Computing