aalto1 untyped-item.component.html
Hydride-Induced Reconstruction of Pd Electrode Surfaces: A Combined Computational and Experimental Study
Loading...
Access rights
openAccess
publishedVersion
URL
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
Major/Subject
Mcode
Degree programme
Language
en
Pages
12
Series
Advanced Materials, Volume 37, issue 4
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 and propagation of structural defects as well as phase transformations that take place during hydride formation.
Description
| openaire: EC/H2020/952184/EU//HERMES
Other note
Citation
Ngoipala, A, Schott, C, Briega-Martos, V, Qamar, M, Mrovec, M, Javan Nikkhah, S, Schmidt, T O, Deville, L, Capogrosso, A, Moumaneix, L, Kallio, T, Viola, A, Maillard, F, Drautz, R, Bandarenka, A S, Cherevko, S, Vandichel, M & Gubanova, E L 2025, 'Hydride-Induced Reconstruction of Pd Electrode Surfaces: A Combined Computational and Experimental Study', Advanced Materials, vol. 37, no. 4, 2410951. https://doi.org/10.1002/adma.202410951