5 years ago

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

Leaching from Palladium Nanoparticles in an Ionic Liquid Leads to the Formation of Ionic Monometallic Species
Sergey A. Katsyuba, Elena E. Zvereva, Paul J. Dyson, Alexey V. Aleksandrov
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.

Publisher URL: http://dx.doi.org/10.1021/acs.jpclett.7b01212

DOI: 10.1021/acs.jpclett.7b01212

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