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The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?

[Image: see text] The electronic structure of CdSe/CdS core/shell seeded nanorods of experimentally relevant size is studied using a combination of molecular dynamics and semiempirical pseudopotential techniques with the aim to address the transition from type-I to a quasi-type-II band alignment. Th...

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Autores principales: Eshet, Hagai, Grünwald, Michael, Rabani, Eran
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3862461/
https://www.ncbi.nlm.nih.gov/pubmed/24215466
http://dx.doi.org/10.1021/nl402722n
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author Eshet, Hagai
Grünwald, Michael
Rabani, Eran
author_facet Eshet, Hagai
Grünwald, Michael
Rabani, Eran
author_sort Eshet, Hagai
collection PubMed
description [Image: see text] The electronic structure of CdSe/CdS core/shell seeded nanorods of experimentally relevant size is studied using a combination of molecular dynamics and semiempirical pseudopotential techniques with the aim to address the transition from type-I to a quasi-type-II band alignment. The hole is found to be localized in the core region regardless of its size. The overlap of the electron density with the core region depends markedly on the size of the CdSe core. For small cores, we observe little overlap, consistent with type-II behavior. For large cores, significant core-overlap of a number of excitonic states can lead to type-I behavior. When electron–hole interactions are taken into account, the core-overlap is further increased. Our calculations indicate that the observed transition from type-II to type-I is largely due to simple volume effects and not to band alignment.
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spelling pubmed-38624612013-12-16 The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II? Eshet, Hagai Grünwald, Michael Rabani, Eran Nano Lett [Image: see text] The electronic structure of CdSe/CdS core/shell seeded nanorods of experimentally relevant size is studied using a combination of molecular dynamics and semiempirical pseudopotential techniques with the aim to address the transition from type-I to a quasi-type-II band alignment. The hole is found to be localized in the core region regardless of its size. The overlap of the electron density with the core region depends markedly on the size of the CdSe core. For small cores, we observe little overlap, consistent with type-II behavior. For large cores, significant core-overlap of a number of excitonic states can lead to type-I behavior. When electron–hole interactions are taken into account, the core-overlap is further increased. Our calculations indicate that the observed transition from type-II to type-I is largely due to simple volume effects and not to band alignment. American Chemical Society 2013-11-11 2013-12-11 /pmc/articles/PMC3862461/ /pubmed/24215466 http://dx.doi.org/10.1021/nl402722n Text en Copyright © 2013 American Chemical Society Terms of Use (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html)
spellingShingle Eshet, Hagai
Grünwald, Michael
Rabani, Eran
The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title_full The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title_fullStr The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title_full_unstemmed The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title_short The Electronic Structure of CdSe/CdS Core/Shell Seeded Nanorods: Type-I or Quasi-Type-II?
title_sort electronic structure of cdse/cds core/shell seeded nanorods: type-i or quasi-type-ii?
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3862461/
https://www.ncbi.nlm.nih.gov/pubmed/24215466
http://dx.doi.org/10.1021/nl402722n
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