001046657 001__ 1046657
001046657 005__ 20250930202057.0
001046657 037__ $$aFZJ-2025-03889
001046657 041__ $$aEnglish
001046657 1001_ $$0P:(DE-Juel1)179453$$aSchalenbach, Maximilian$$b0
001046657 1112_ $$a76th Annual Meeting of the International Society of Electrochemistry$$cMainz$$d2025-09-08 - 2025-09-12$$wGermany
001046657 245__ $$aThe Role of the d-Band Structure and Adsorption Sites for the Electrocatalytic Hydrogen Evolution on AuPt Alloys
001046657 260__ $$c2025
001046657 3367_ $$033$$2EndNote$$aConference Paper
001046657 3367_ $$2DataCite$$aOther
001046657 3367_ $$2BibTeX$$aINPROCEEDINGS
001046657 3367_ $$2DRIVER$$aconferenceObject
001046657 3367_ $$2ORCID$$aLECTURE_SPEECH
001046657 3367_ $$0PUB:(DE-HGF)6$$2PUB:(DE-HGF)$$aConference Presentation$$bconf$$mconf$$s1759216160_26978$$xOther
001046657 520__ $$aThe hydrogen evolution reaction in acidic media displays a simple electrocatalytic model system with adsorbed hydrogen as the only reaction intermediate. However, after a century of research on this reaction, the electronic properties of electrocatalysts that affect the kinetics are still a field of controversial debate 1. In the current literature 2, trends of the electrocatalytic activity for the hydrogen evolution reaction are typically explained by d-band properties such as the d-band center or upper edge positions in respect to the Fermi level. Here, we critically evaluate this relation for alloys, considering the hydrogen evolution on gold-platinum metal alloys as a test system. By a combination of electrocatalytic measurements and density functional theory (DFT) calculations we revealed new aspects of electronic structure-electrochemical activity coupling. Our measurements show that at small overpotentials, linear combinations of the pure-metals’ Tafel kinetics normalized to the alloy compositions resemble well the measured alloy activities. Adsorption energies determined with the DFT calculations show neighbor-independent activities for Au and Pt surface-sites. The adsorbed hydrogen influences the electron density mostly locally at the adsorption site. In contrast, the density of states of the d-band describes the delocalized conduction electrons in the alloys, which cannot be meaningfully related to the local electronic environments at the hydrogen adsorption site. Hence, we correlate the hydrogen adsorption energies at element-specific surface sites directly to the overpotential-driven reaction mechanisms. We propose a multidimensional reinterpretation of the volcano plot for alloys, which bridges the activity and common bonding strength descriptors of the electrocatalytic theory.
001046657 536__ $$0G:(DE-HGF)POF4-1232$$a1232 - Power-based Fuels and Chemicals (POF4-123)$$cPOF4-123$$fPOF IV$$x0
001046657 65027 $$0V:(DE-MLZ)SciArea-110$$2V:(DE-HGF)$$aChemistry$$x0
001046657 65017 $$0V:(DE-MLZ)GC-110$$2V:(DE-HGF)$$aEnergy$$x0
001046657 7001_ $$0P:(DE-Juel1)164857$$aTesch, Rebekka$$b1
001046657 7001_ $$0P:(DE-Juel1)137024$$aKowalski, Piotr$$b2
001046657 7001_ $$0P:(DE-Juel1)161208$$aTempel, Hermann$$b3
001046657 7001_ $$0P:(DE-Juel1)156123$$aEichel, Rüdiger-A.$$b4$$ufzj
001046657 909CO $$ooai:juser.fz-juelich.de:1046657$$pVDB
001046657 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)179453$$aForschungszentrum Jülich$$b0$$kFZJ
001046657 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)137024$$aForschungszentrum Jülich$$b2$$kFZJ
001046657 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)161208$$aForschungszentrum Jülich$$b3$$kFZJ
001046657 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)156123$$aForschungszentrum Jülich$$b4$$kFZJ
001046657 9101_ $$0I:(DE-588b)36225-6$$6P:(DE-Juel1)156123$$aRWTH Aachen$$b4$$kRWTH
001046657 9131_ $$0G:(DE-HGF)POF4-123$$1G:(DE-HGF)POF4-120$$2G:(DE-HGF)POF4-100$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-1232$$aDE-HGF$$bForschungsbereich Energie$$lMaterialien und Technologien für die Energiewende (MTET)$$vChemische Energieträger$$x0
001046657 9141_ $$y2025
001046657 920__ $$lyes
001046657 9201_ $$0I:(DE-Juel1)IET-1-20110218$$kIET-1$$lGrundlagen der Elektrochemie$$x0
001046657 980__ $$aconf
001046657 980__ $$aVDB
001046657 980__ $$aI:(DE-Juel1)IET-1-20110218
001046657 980__ $$aUNRESTRICTED