Influence of ZnSe core on the structural and optical properties of ZnSe/ZnS core/shell nanocrystals: Tight-binding theory

2014 ◽  
Vol 75 ◽  
pp. 739-748 ◽  
Author(s):  
Worasak Sukkabot
2003 ◽  
Vol 789 ◽  
Author(s):  
Garnett W. Bryant ◽  
W. Jaskolski

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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