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Modeling shell formation in core-shell nanocrystals in reverse micelle systems

DSpace at IIT Bombay

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Title Modeling shell formation in core-shell nanocrystals in reverse micelle systems
 
Creator SHUKLA, D
MEHRA, A
 
Subject monte-carlo model
optical-properties
nanoparticles
microemulsions
coagulation
simulation
 
Description The mechanisms responsible for the formation of the shell in core-shell nanocrystals are ion-displacement and heterogeneous nucleation. In the ion-displacement mechanism, the shell is formed by the displacement reaction at the surface of the core nanoparticle whereas in heterogeneous nucleation the core particle induces the nucleation (or direct deposition) of shell material on its surface. The formation of core-shell nanocrystals via the post-core route has been examined in the current investigation. A purely probabilistic Monte Carlo scheme for the formation of the shell has been developed to predict the experimental results of Hota et al. (Hota, G.; Jain, S.; Khilar, K.C. Colloids Surf., A 2004, 232, 119) for the precipitation of Ag2S-coated CdS (Ag2S@CdS) nanoparticles. The simulation procedure involves two stages. In the first stage, shell formation takes place as a result of the consumption of supersaturation, ion displacement, and reaction between Ag+ and excess sulfide ions. The growth in the second stage is driven by the coagulation of nanoparticles. The results indicate that the fraction of shell deposited by the ion-displacement mechanism increases with increasing ion ratio and decreases with increasing water-to-surfactant molar ratio.
 
Publisher AMER CHEMICAL SOC
 
Date 2011-07-14T12:49:25Z
2011-12-26T12:48:23Z
2011-12-27T05:35:47Z
2011-07-14T12:49:25Z
2011-12-26T12:48:23Z
2011-12-27T05:35:47Z
2006
 
Type Article
 
Identifier LANGMUIR, 22(23), 9500-9506
0743-7463
http://dx.doi.org/10.1021/la061499z
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3957
http://hdl.handle.net/10054/3957
 
Language en