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

Zvereva, Elena E.Katsyuba, Sergey A.Dyson, Paul J.Aleksandrov, Alexey V.2017-09-052017-09-052017-09-05201710.1021/acs.jpclett.7b01212https://infoscience.epfl.ch/handle/20.500.14299/140101WOS:000407191300001Molecular 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.Leaching from Palladium Nanoparticles in an Ionic Liquid Leads to the Formation of Ionic Monometallic Speciestext::journal::journal article::research article