Hydride-Induced Reconstruction of Pd Electrode Surfaces: A Combined Computational and Experimental Study.

ABSTRACT: Designing electrocatalysts with optimal activity and selectivity relies on a thorough understanding of the surface structure under reaction conditions. In this study, experimental and computational approaches are combined to elucidate reconstruction processes on low-index Pd surfaces during H-insertion following proton electroreduction. While electrochemical scanning tunneling microscopy clearly reveals pronounced surface roughening and morphological changes on Pd(111), Pd(110), and Pd(100) surfaces during cyclic voltammetry, a complementary analysis using inductively coupled plasma mass spectrometry excludes Pd dissolution as the primary cause of the observed restructuring. Large-scale molecular dynamics simulations further show that these surface alterations are related to the creation a

SUBMITTER: Ngoipala A 

PROVIDER: S-EPMC11775870 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature