| DOI | Trouver le DOI : https://doi.org/10.1016/j.cplett.2013.03.029 |
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| Auteur | Rechercher : Wang, Xinqin; Rechercher : Zeng, Qun; Rechercher : Shi, Jing; Rechercher : Jiang, Gang; Rechercher : Yang, Mingli; Rechercher : Liu, Xiangyang1; Rechercher : Enright, Gary2; Rechercher : Yu, Kui1 |
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| Affiliation | - Conseil national de recherches du Canada. Technologies de sécurité et de rupture
- Conseil national de recherches du Canada. Science des mesures et étalons
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| Format | Texte, Article |
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| Sujet | Blue-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 |
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| Résumé | Starting 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. |
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| Date de publication | 2013-03-19 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21270389 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | b9215333-b5e6-4893-ace0-18f58c025b1b |
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| Enregistrement créé | 2014-02-06 |
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| Enregistrement modifié | 2020-04-22 |
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