The electronic structure of CdSe/CdS core/shell seeded nanorods: type-I or quasi-type-II?

Autor(en)

Hagai Eshet, Michael Grünwald, Eran Rabani

Abstrakt

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.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Tel Aviv University

Journal

Nano Letters: a journal dedicated to nanoscience and nanotechnology

Band

13

Seiten

5880-5885

Anzahl der Seiten

6

ISSN

1530-6984

DOI

https://doi.org/10.1021/nl402722n

Publikationsdatum

11-2013

Peer-reviewed

Ja

ÖFOS 2012

103036 Theoretische Physik, 210006 Nanotechnologie, 103029 Statistische Physik

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/42189e6d-7a9e-4274-9e7d-2c84a8a5cd9e