Effect of gamma radiation on alkanethiolate-capped gold nanoparticles: Theoretical studies

Abstract Theoretical studies of the effect of gamma irradiation on alkanethiolate-capped gold nanoparticles are presented. Icosahedral, decahedral and fcc nanoparticles protected with 1-dodecanethiolate (SC12) were obtained by molecular mechanics simulations, analyzing the effect of gamma irradiation through MonteCarlo. The studied doses were 1, 10 and 20 kGy. It was observed that slight structural modifications of the metallic core might occur and these are dependent on the shape of the nanoparticle. However, the most significant effect was observed on the organic passivating layer, where torsions, bending and scission of the alkyl chains were detected.