Thermal behaviour of CdSe hollow QDs studied by molecular dynamics simulations
| dc.authorscopusid | 57670072100 | |
| dc.contributor.author | Dalgic S.S. | |
| dc.date.accessioned | 2024-06-12T10:29:11Z | |
| dc.date.available | 2024-06-12T10:29:11Z | |
| dc.date.issued | 2017 | |
| dc.description.abstract | Thermally behavior of the different sizes of CdSe hollow quantum dots (HQDs) sub<10nm was first investigated by molecular dynamics (MD) simulations. The seven samples of the CdSe-HQDs within the thin wall thickness have constructed from the solid QDs with zincblende (ZB) structure at the diameter of 4-8m sizes. The size and temperature dependent cohesive energies, self-diffusion kinetics and the transformations in their morphology, thus their melting points have presented by describing the two-stage melting of HQDs. Although, the thermodynamic stability of the simulated HQDs is related to the hollow interior they contain, it is actually more concerned with their wall thickness. A two-step melting behavior is not observed for the HQDs with the diameter smaller than 5nm. However, it is identified clearly for 6nm size HQDs with two different melting modes by analyzing the self-diffusion behavior of atoms. Thus, these results can be suitable for the construction of chalcogenide HQDs with ZB structure © 2017, National Institute R and D of Materials Physics. All rights reserved. | en_US |
| dc.identifier.endpage | 527 | en_US |
| dc.identifier.issn | 1584-8663 | |
| dc.identifier.issue | 12 | en_US |
| dc.identifier.scopus | 2-s2.0-85038437147 | en_US |
| dc.identifier.scopusquality | Q3 | en_US |
| dc.identifier.startpage | 521 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.14551/17634 | |
| dc.identifier.volume | 14 | en_US |
| dc.indekslendigikaynak | Scopus | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | National Institute R and D of Materials Physics | en_US |
| dc.relation.ispartof | Chalcogenide Letters | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Cdse; Cohesive Energy; Hollow Quantum Dots; Thermal Effect | en_US |
| dc.title | Thermal behaviour of CdSe hollow QDs studied by molecular dynamics simulations | en_US |
| dc.type | Article | en_US |
