Abstract:Water-metal interfaces are ubiquitous, but their underlying physicochemical principles remain elusive. In this work, we performed scalar-relativistic and dispersion-corrected first-principle calculations for full-shell noble metal nanoclusters in water for characterizing their electronic interactions. With increasing nanocluster (NC) size, the average bond lengths of Ag and Au NCs decrease due to their strong relative effects, while those of Pd and Pt NCs increase normally. The calculated Löwdin net atomic cha… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.