–SR removal or –R removal? A mechanistic revisit on the puzzle of ligand etching of Au <sub>25</sub> (SR) <sub>18</sub> nanoclusters during electrocatalysis
Fang Sun, Lubing Qin, Zhenghua Tang, Guocheng Deng, Megalamane S. Bootharaju, Zidong Wei, Qing Tang, Taeghwan Hyeon
Abstract
The advanced constant-potential solvation dynamic calculations revealed that the preferential attack of protons on the S site is the key factor for the weakening and breaking of Au–S bonds, thereby facilitating the desorption of thiolate ligands.
Topics & Concepts
ElectrocatalystNanoclustersElectrochemistryCatalysisChemistryLone pairDesorptionMetalKineticsBond cleavageElectrodeInorganic chemistryPhotochemistryMoleculeAdsorptionPhysical chemistryOrganic chemistryPhysicsQuantum mechanicsNanocluster Synthesis and ApplicationsAdvanced Nanomaterials in CatalysisGold and Silver Nanoparticles Synthesis and Applications