Effect of Copper Doping on Electronic Structure and Optical Absorption of Cd
CdSe quantum dots
DFT
doping
optical absorption
oxidation state of Cu
Journal
Nanomaterials (Basel, Switzerland)
ISSN: 2079-4991
Titre abrégé: Nanomaterials (Basel)
Pays: Switzerland
ID NLM: 101610216
Informations de publication
Date de publication:
28 Sep 2021
28 Sep 2021
Historique:
received:
06
09
2021
revised:
21
09
2021
accepted:
23
09
2021
entrez:
23
10
2021
pubmed:
24
10
2021
medline:
24
10
2021
Statut:
epublish
Résumé
The photophysical properties of Cu-doped CdSe quantum dots (QDs) can be affected by the oxidation state of Cu impurity, but disagreement still exists on the Cu oxidation state (+1 or +2) in these QDs, which is debated and poorly understood for many years. In this work, by using density functional theory (DFT)-based calculations with the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional, we clearly demonstrate that the incorporation of Cu dopants into the surface of the magic sized Cd
Identifiants
pubmed: 34684972
pii: nano11102531
doi: 10.3390/nano11102531
pmc: PMC8538518
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : China Postdoctoral Science Foundation
ID : 2021TQ0312
Organisme : National Key Research and Development Program of China
ID : 2017YFE0301600
Organisme : National Key Research and Development Program of China
ID : 2016YFB0201203
Organisme : President Foundation of CAEP
ID : YZJJLX2018003
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