Thermal behaviour of CdSe hollow QDs studied by molecular dynamics simulations
Küçük Resim Yok
Tarih
2017
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
National Institute R and D of Materials Physics
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
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.
Açıklama
Anahtar Kelimeler
Cdse; Cohesive Energy; Hollow Quantum Dots; Thermal Effect
Kaynak
Chalcogenide Letters
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
14
Sayı
12
