Manipulation of structural and optical properties in ZnO/ZnS type-II and ZnS/ZnO inverted type-II core/shell nanocrystals: tight-binding theory

2017 ◽  
Vol 16 (3) ◽  
pp. 756-764 ◽  
Author(s):  
Worasak Sukkabot
Keyword(s):  
Optical Properties ◽  
Tight Binding ◽  
Core Shell ◽  
Type Ii ◽  
Binding Theory ◽  
Structural And Optical Properties

Atomistic effect of laterally and vertically growth shell on physical behaviours of CdSe/CdTe type-II core/crown and core/shell nanoplatelets: tight-binding theory

2021 ◽  
Vol 96 (12) ◽  
pp. 125867
Author(s):  
Worasak Sukkabot
Keyword(s):  
Charge Separation ◽  
Tight Binding ◽  
Band Gaps ◽  
Core Shell ◽  
Type Ii ◽  
Binding Theory ◽  
Theoretical Understanding ◽  
Spatial Charge ◽  
The Impact ◽  
Cdte Core

Abstract Utilizing the atomistic tight-binding theory, the impact of the lateral and vertical potential confinement by the coated shell on the CdSe/CdTe core/crown and core/shell nanoplatelets (NPLs) is attained. The spatial charge separation and encapsulated shell have a noteworthy impact on the electronic structures and optical properties because of the type-II band profile. The reduced band gaps with the growing laterally and vertically passivated shell thicknesses are due to the quantum confinement phenomena. The optical band gaps adjusted across the visible light are achieved by the shell thickness change. The excitonic binding energies of CdSe/CdTe core/shell NPLs are larger than those of CdSe/CdTe core/crown NPLs. Thanks to the spatial charge separation, a shortening of the oscillation strengths is concomitant with an increase of the radiative lifetimes. Overall, this scientific research underlines the importance of the theoretical understanding and practical control by lateral and vertical confinement of heterostructure NPLs.

Surface States in Passivated, Unpassivated and Core/Shell Nanocrystals: Electronic Structure and Optical Properties

2003 ◽  
Vol 789 ◽  
Author(s):  
Garnett W. Bryant ◽  
W. Jaskolski
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Semiconductor Nanocrystals ◽  
Tight Binding ◽  
Surface States ◽  
Surface Effects ◽  
Atomic Scale ◽  
Core Shell ◽  
Binding Theory ◽  
Theoretical Understanding

ABSTRACTSurface effects significantly influence the functionality of semiconductor nanocrystals. A theoretical understanding of these surface effects requires models capable of describing surface details at an atomic scale, passivation with molecular ligands, and few-monolayer capping shells. We present an atomistic tight-binding theory of the electronic structure and optical properties of passivated, unpassivated and core/shell nanocrystals to study these surface effects.

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