| Literature DB >> 28692296 |
Elena E Zvereva1,2, Sergey A Katsyuba1, Paul J Dyson3, Alexey V Aleksandrov4.
Abstract
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.Entities:
Year: 2017 PMID： 28692296 DOI： 10.1021/acs.jpclett.7b01212
Source DB: PubMed Journal: J Phys Chem Lett ISSN： 1948-7185 Impact factor: 6.475