Leaching from Palladium Nanoparticles in an Ionic Liquid Leads to the Formation of Ionic Monometallic Species.

Elena E ZverevaSergey A KatsyubaPaul J DysonAlexey V Aleksandrov

Published in: The journal of physical chemistry letters (2017)

Molecular dynamics simulations and DFT calculations suggest that leaching of palladium species from Pd nanoparticles in ionic liquids does not involve "naked" Pd(0) atoms or neutral ArPdX species formed by oxidative addition of arylhalides. Instead, the ionic liquid contributes largely to leaching of ionic PdX- or PdAr+ species.

Keyphrases

ionic liquid
molecular dynamics simulations
heavy metals
molecular docking
room temperature
sewage sludge
municipal solid waste
genetic diversity
reduced graphene oxide
molecular dynamics