Topical Collection "Nanocrystals"

Editors

Dr. Roberto Comparelli
Website
Collection Editor
National Research Council–Institute for Physical Chemical Processes (CNR-IPCF), Bari, Italy
Interests: photocatalysis; visible light active photocatalysts; inorganic nanocrystals; hybrid nanocomposites; plasmonics nanoparticles; nanocrystal functionalization; solar energy conversion
Special Issues and Collections in MDPI journals
Prof. Dr. Iwan Kityk
Website
Collection Editor
Department of Electrical Engineering, Czestochowa Univeristy Technology, PL-42201, Armii Krajoej 17, Czestochowa, Poland
Interests: nonlinear optical crystals and nanocrystals; laser stimulated effects in crystals; nanophotonic and optoelecronic crystals
Special Issues and Collections in MDPI journals

Topical Collection Information

Dear Colleagues,

Nanocrystals and nanoparticles have been increasingly attracting the attention of scientists in the last twenty years, due to their original size/shape dependent optoelectronic, thermodynamic, mechanical, and catalytic properties. This collection aims to promote transfer of scientific information concerning the chemistry and physics of low-dimensional nanocrystalline materials. Potential topics include, but are not limited to, synthetic approaches to nanocrystals, their surface engineering, the investigation of their chemical-physical, optical and nonlinear optical features, their application in optoelectronics, catalysis, energy conversion and storage, nanomedicine, (bio)sensors. Manuscripts dealing with DFT calculations of the low-dimensional structures, establishment of relation between the electronic and crystalline structures of nanocrystals and their final properties will be also welcomed.

Prof. Dr. Roberto Comparelli
Prof. Dr. Iwan Kityk
Guest Editors

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 collection 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. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Synthesis and characterization of nanocrystals
  • Nanointerfaces
  • Chemical modification of the nanosurfaces
  • Optoelecronics features of the nanocrystals
  • Laser induced properties of nanocrystals
  • Nanophotonic materials
  • Catalysis
  • Energy conversion and storage
  • Nanomedicine
  • (Bio)Sensing

Published Papers (3 papers)

2019

Jump to: 2018

Open AccessArticle
Md-Simulation of Fullerene Rotations in Molecular Crystal Fullerite
Crystals 2019, 9(10), 496; https://doi.org/10.3390/cryst9100496 - 25 Sep 2019
Cited by 4
Abstract
The present paper describes rotations of C60 fullerene molecules in the solid phase of a fullerite. The conducted studies show that these relatively large molecules rotate according to the same laws as macroscopic bodies, i.e., according to the laws of classical mechanics. [...] Read more.
The present paper describes rotations of C60 fullerene molecules in the solid phase of a fullerite. The conducted studies show that these relatively large molecules rotate according to the same laws as macroscopic bodies, i.e., according to the laws of classical mechanics. The performed calculations confirm that fullerene rotations do not cause friction. We suggest a method for a strong increase in the internal energy of the material that does not lead to its destruction. It is theoretically shown that in standard fullerite, in the absence of electric and magnetic fields, fullerene rotations occur with an average angular frequency of 0.34·× 1012 rad·s−1, which is consistent with the experimental data obtained using nuclear magnetic resonance. By means of calculations, we found that alternating magnetic fields of a certain configuration wind fullerenes encapsulated by iron. In this case, two temperatures arise in the fullerite crystal: a high rotational temperature and a vibrational temperature close to normal. For the purpose of determining this velocity, as well as the nature of rotations, the present paper suggests a way of integrating the dynamic Euler equations for the projections of a molecule’s angular velocity vector onto the coordinate axes associated with the fullerene. The stages of computer simulation of fullerene movements, which was carried out without using previously developed packages of molecular-dynamic modelling, are consistently described. Full article
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Figure 1

2018

Jump to: 2019

Open AccessArticle
The Influence of Photoelectron Escape in Radiation Damage Simulations of Protein Micro-Crystallography
Crystals 2018, 8(7), 267; https://doi.org/10.3390/cryst8070267 - 27 Jun 2018
Cited by 3
Abstract
Radiation damage represents a fundamental limit in the determination of protein structures via macromolecular crystallography (MX) at third-generation synchrotron sources. Over the past decade, improvements in both source and detector technology have led to MX experiments being performed with smaller and smaller crystals [...] Read more.
Radiation damage represents a fundamental limit in the determination of protein structures via macromolecular crystallography (MX) at third-generation synchrotron sources. Over the past decade, improvements in both source and detector technology have led to MX experiments being performed with smaller and smaller crystals (on the order of a few microns), often using microfocus beams. Under these conditions, photoelectrons (PEs), the primary agents of radiation-damage in MX, may escape the diffraction volume prior to depositing all of their energy. The impact of PE escape is more significant at higher beam energies (>20 keV) as the electron inelastic mean free path (IMFP) is longer, allowing the electrons to deposit their energy over a larger area, extending further from their point of origin. Software such as RADDOSE-3D has been used extensively to predict the dose (energy absorbed per unit mass) that a crystal will absorb under a given set of experimental parameters and is an important component in planning a successful MX experiment. At the time this study was undertaken, dose predictions made using RADDOSE-3D were spatially-resolved, but did not yet account for the propagation of PEs through the diffraction volume. Hence, in the case of microfocus crystallography, it is anticipated that deviations may occur between the predicted and actual dose absorbed due to the influence of PEs. To explore this effect, we conducted a series of simulations of the dose absorbed by micron-sized crystals during microfocus MX experiments. Our simulations spanned beam and crystal sizes ranging from 1μm to 5μm for beam energies between 9 keV and 30 keV. Our simulations were spatially and temporarily resolved and accounted for the escape of PEs from the diffraction volume. The spatially-resolved dose maps produced by these simulations were used to predict the rate of intensity loss in a Bragg spot, a key metric for tracking global radiation damage. Our results were compared to predictions obtained using a recent version of RADDOSE-3D that did not account for PE escape; the predicted crystal lifetimes are shown to differ significantly for the smallest crystals and for high-energy beams, when PE escape is included in the simulations. Full article
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Graphical abstract

Open AccessArticle
Zinc Oxide Nanostructures: From Chestnut Husk-Like Structures to Hollow Nanocages, Synthesis and Structure
Crystals 2018, 8(4), 153; https://doi.org/10.3390/cryst8040153 - 30 Mar 2018
Cited by 4
Abstract
Tailor-made nanostructured ZnO cages have been catalytically grown on Au and Pt films covering silicon substrates, by a controlled evaporation process, which means an accurate choice of temperatures, times, gas flows (He in the heating, He/air during the synthesis), and Au/Pt film thickness. [...] Read more.
Tailor-made nanostructured ZnO cages have been catalytically grown on Au and Pt films covering silicon substrates, by a controlled evaporation process, which means an accurate choice of temperatures, times, gas flows (He in the heating, He/air during the synthesis), and Au/Pt film thickness. The effect of the process parameters affecting the morphology and the structure of the obtained materials has been investigated by XRD analysis, scanning electron microscopy (SEM) and atomic force microscopy (AFM) microscopies, and FTIR spectroscopies. In particular, the role of the synthesis temperature in affecting the size and shape of the obtained ZnO cages has been highlighted. It will be shown that by adopting higher temperatures, the protruding nanowhiskers several microns in length, covering the cages and exhibiting both basal and prismatic faces, change into very thin and narrow structures, with extended prismatic faces, prevailing with respect to the basal ones. At an even higher process temperature, the building up of Au particles aggregates inside and/or anchored to the walls of the hollow cages, without any evidence of elongated ZnO nanostructures will be highlighted. From FTIR spectra information on lattice modes of the investigated ZnO, materials have been obtained. Full article
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Graphical abstract

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