The structure and optical absorption of single source precursors for II-VI quantum dots

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DOIResolve DOI: http://doi.org/10.1016/j.cplett.2013.03.029
AuthorSearch for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleChemical Physics Letters
ISSN0009-2614
Volume568-569
Pages125129; # of pages: 5
SubjectBlue-shifted; Cadmium selenides; Covalent bonding; Density functional theory calculations; HOMO-LUMO transitions; II-VI quantum dots; Ligand-free; Single-source precursor; Cadmium compounds; Cadmium sulfide; Chemical bonds; Density functional theory; Electron transitions; Electronic structure; Semiconducting selenium compounds; Light absorption
AbstractStarting from its measured structure, the electronic structures and optical absorptions of CdSe single source precursor, cadmium bis(diselenophosphinate) (CSP), have been studied by means of density functional theory calculations. In contrast to covalent bonding in ligand-free cadmium selenide, the Cd-Se bonds in CSP are featured by the coordination of the 4p electrons of Se atoms, resulting in low net charge on Cd and blue shifted electron transitions. The ligands not only stabilize the CdSe core but also affect the HOMO-LUMO transition. Computations were extended to the corresponding ZnSe and CdS complexes and came to similar conclusions.
Publication date
LanguageEnglish
AffiliationSecurity and Disruptive Technologies; Measurement Science and Standards; National Research Council Canada
Peer reviewedYes
NPARC number21270389
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Record identifierb9215333-b5e6-4893-ace0-18f58c025b1b
Record created2014-02-06
Record modified2016-05-09
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