Physical Sciences and Mathematics Commons^™

A Density Functional Theory Study Of Palladium Nanoparticles And Their Redox Properties On Graphene, Billie A. Radcliffe

Theses and Dissertations

Nanoparticles exhibit characteristics that are different from bulk materials as well as from atoms resulting in their application in numerous fields of applied material science. In particular, small palladium nanoparticles supported on graphene have been found to be outstanding catalysts for the Suzuki cross-coupling reaction. One explanation as to why these supported nanoparticles are such outstanding catalysts is because they may act as both electron donors and acceptors. Charge donating ligands are known to lower the ionization energy of clusters, making the clusters better donors. In this project, it is hypothesized that graphene supports may also act like charge donating …