Work

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

Year: 2020

Type: article

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.

Source: Nanoscale

DOI: 10.1039/d0nr00182a

Authors: Luca Rebuffi, Binayak Mukherjee, Stefano Siboni, Allison P. Young, Benjamin P. Williams, Chia-Kuang Tsung, Paolo Scardi

Institutions: Argonne National Laboratory, Advanced Photon Source, University of Trento, Boston College

Language: English

Topic: X-ray Diffraction in Crystallography

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, Office of Science, Basic Energy Sciences, Argonne National Laboratory

Awards: G107546177, G1286251239, G1313983767, G1664757510, G2287611682, G262962599, G3075337988, G426311843, G498139845, G5387317844, G6848031779, G6918803902, G7583137537, G969889393, G993149817

OpenAlex ID: W3008502580

FWCI: 0.28

Cites: 67

Cited by: 4

Related to: 10