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Surface softening in palladium nanoparticles: effects of a capping agent on vibrational properties.
Rebuffi, Luca; Mukherjee, Binayak; Siboni, Stefano; Young, Allison P; Williams, Benjamin P; Tsung, Chia-Kuang; Scardi, Paolo.
Afiliación
  • Rebuffi L; Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, IL 60439, USA.
  • Mukherjee B; Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano 77, 38123 Trento, Italy. paolo.scardi@unitn.it.
  • Siboni S; Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano 77, 38123 Trento, Italy. paolo.scardi@unitn.it.
  • Young AP; Boston College, Merkert Chemistry Center, Department of Chemistry, 2609 Beacon St., Chestnut Hill, Massachusetts 02467, USA.
  • Williams BP; Boston College, Merkert Chemistry Center, Department of Chemistry, 2609 Beacon St., Chestnut Hill, Massachusetts 02467, USA.
  • Tsung CK; Boston College, Merkert Chemistry Center, Department of Chemistry, 2609 Beacon St., Chestnut Hill, Massachusetts 02467, USA.
  • Scardi P; Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano 77, 38123 Trento, Italy. paolo.scardi@unitn.it.
Nanoscale ; 12(10): 5876-5887, 2020 Mar 12.
Article en En | MEDLINE | ID: mdl-32104854
ABSTRACT
The presence of a capping agent (CTAB) on Pd nanoparticles produces a strong static disorder in the surface region. This results in a surface softening, which contributes to an overall increase in the Debye-Waller coefficient measured by X-ray powder diffraction. Molecular dynamics and density functional theory simulations show that the adsorption-induced surface disorder is strong enough to overcome the effects of nanoparticle size and shape.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nanoscale Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
Añadir a Mi BVS
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XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nanoscale Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos