Special Issue "Vibrational Properties of Nanocrystals"

A special issue of Nanomaterials (ISSN 2079-4991).

Deadline for manuscript submissions: closed (20 April 2019).

Special Issue Editor

Prof. Paolo Scardi
Website
Guest Editor
Department of Civil, Environmental & Mechanical Engineering, University of Trento, Via Mesiano 77, 38123, Trento, Italy
Interests: thermoelectricity; photovoltaics; nanomaterials; X-ray diffraction
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Special Issue Information

Dear Colleagues,

Vibrational dynamics are of direct interest in the study of the thermal properties of materials, and also condition structural stability, phase transformations and transport phenomena. All of this is made even more relevant in nanostructured materials, for the effects of phonon confinement and surface atomic coordination. The finite size increases the weight of the inner atomic coordination shells on the materials properties, as atomic vibrations of neighboring atoms tend to be more correlated than more distant atoms, but also amplifies the effect of the static disorder due to the large fraction of atomic bonds in the free surface or in the grain boundary regions. These regions are also responsible for the peculiarity of surface plasmonic effects, rich of interest and promising applications.

Vibrational dynamics of nanocrystalline systems have attracted increasing interest over the past two decades, involving either experimental studies, with new techniques and methodologies, and atomistic simulations with increasingly sophisticated potentials and able to treat ever larger nanostructured systems and representative of the experimental reality.

We invite to propose contributions on the general theme of vibrational dynamics in nanocrystalline systems, whether they are constituted by isolated nanocrystals or polycrystalline aggregates, studied by experimental, theoretical, or numerical simulation methods.

Prof. Paolo Scardi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access monthly journal published by MDPI.

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Keywords

  • Vibrational dynamics
  • Nanocrystalline materials
  • Static and dynamic disorder
  • Surface and grain boundary regions
  • Spectroscopic studies
  • Atomistic simulations
  • Molecular dynamics

Published Papers (1 paper)

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Research

Open AccessFeature PaperArticle
Vibrational Properties of Pd Nanocubes
Nanomaterials 2019, 9(4), 609; https://doi.org/10.3390/nano9040609 - 12 Apr 2019
Cited by 1
Abstract
The atomic disorder and the vibrational properties of Pd nanocubes have been studied through a combined use of X-ray diffraction and molecular dynamics simulations. The latter show that the trend of the mean square relative displacement as a function of the radius of [...] Read more.
The atomic disorder and the vibrational properties of Pd nanocubes have been studied through a combined use of X-ray diffraction and molecular dynamics simulations. The latter show that the trend of the mean square relative displacement as a function of the radius of the coordination shells is characteristic of the nanoparticle shape and can be described by a combined model: A correlated Debye model for the thermal displacement and a parametric expression for the static disorder. This combined model, supplemented by results of line profile analysis of the diffraction patterns collected at different temperatures (100, 200, and 300 K) can explain the observed increase in the Debye–Waller coefficient, and shed light on the effect of the finite domain size and of the atomic disorder on the vibrational properties of metal nanocrystals. Full article
(This article belongs to the Special Issue Vibrational Properties of Nanocrystals)
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