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Issue 10, 2020
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Surface softening in palladium nanoparticles: effects of a capping agent on vibrational properties

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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.

Graphical abstract: Surface softening in palladium nanoparticles: effects of a capping agent on vibrational properties

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Article information


Submitted
07 Jan 2020
Accepted
19 Feb 2020
First published
21 Feb 2020

Nanoscale, 2020,12, 5876-5887
Article type
Paper

Surface softening in palladium nanoparticles: effects of a capping agent on vibrational properties

L. Rebuffi, B. Mukherjee, S. Siboni, A. P. Young, B. P. Williams, C. Tsung and P. Scardi, Nanoscale, 2020, 12, 5876
DOI: 10.1039/D0NR00182A

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