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dc.contributor.author
Schulte, Erica Daniela  
dc.contributor.author
Santos, E  
dc.contributor.author
Quaino, Paola Monica  
dc.date.available
2020-07-23T15:48:19Z  
dc.date.issued
2020-07  
dc.identifier.citation
Schulte, Erica Daniela; Santos, E; Quaino, Paola Monica; Reactivity of bimetallic nanostructured electrocatalysts for the hydrogen adsorption. An atomistic view; Elsevier Science; Surface Science; 697; 7-2020  
dc.identifier.issn
0039-6028  
dc.identifier.uri
http://hdl.handle.net/11336/110064  
dc.description.abstract
The reactivity and structure of bimetallic nano-arrangements deposited on Au(111) surfaces have been investigated on the basis of DFT. Several bimetallic nanostructures have been investigated: wires and clusters with different Pd:Pt ratios. Modifications in the material reactivity due to electronic, chemical and geometrical effects were evaluated in terms of energetics, charge redistribution and density of states projected onto the involved atoms to provide a deeper insight into the material behavior. Additionally, we discussed the nanostructure reactivity for the hydrogen reaction by analysis of the behavior of the adsorbed intermediate (Hads)  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier Science  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
BIMETALLIC MATERIALS  
dc.subject
DFT  
dc.subject
NANOSTRUCTURES  
dc.subject
HYDROGEN  
dc.subject.classification
Otras Ciencias Químicas  
dc.subject.classification
Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Reactivity of bimetallic nanostructured electrocatalysts for the hydrogen adsorption. An atomistic view  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2020-07-20T16:18:48Z  
dc.journal.volume
697  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Schulte, Erica Daniela. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina  
dc.description.fil
Fil: Santos, E. Universitat Ulm; Alemania  
dc.description.fil
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina  
dc.journal.title
Surface Science  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0039602820301023  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.susc.2020.121605  

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