We have studied the charge distribution of organic surfactant coated CoFe2O4 spherical nanoparticles together with the uncoated ones, using density functional theory (DFT)calculations. The coatings used are the diethylene glycol (DEG)and oleic acid (OA). Our results showed that the coating influences more the charge of the Co atoms and less the Fe atoms charge while the influence is very small in the O atoms and that the effect is more pronounced in the charge of the DEG coated particles. The average electrostatic potential and electric field have higher strength of interaction in the coated particles, especially the ones with the DEG coating.
Effect of organic coating on the charge distribution of CoFe2O4 nanoparticles
Peddis D.;
2019-01-01
Abstract
We have studied the charge distribution of organic surfactant coated CoFe2O4 spherical nanoparticles together with the uncoated ones, using density functional theory (DFT)calculations. The coatings used are the diethylene glycol (DEG)and oleic acid (OA). Our results showed that the coating influences more the charge of the Co atoms and less the Fe atoms charge while the influence is very small in the O atoms and that the effect is more pronounced in the charge of the DEG coated particles. The average electrostatic potential and electric field have higher strength of interaction in the coated particles, especially the ones with the DEG coating.
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