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Physical Analysis of Nanomaterials
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Physical Analysis of Nanomaterials

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (31 July 2021) | Viewed by 6539

Special Issue Editor

Prof. Dr. Alexander V. Eletskii

E-Mail Website
Guest Editor
Department of Thermal and Atomic Energy, Moscow Power Engineering Institute, National Research University, 14 Krasnokazarmennaya, 111250 Moscow, Russia
Interests: chemical physics; carbon nanoparticles and nanomaterials; carbon nanotubes; graphene; thermal conduction; nanocomposites with carbon additives
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Production, investigation, and practical applications of nanomaterials present a rapidly growing field of science which encompasses such branches as physics, chemistry, and material research. Many hundred laboratories in the world have been involved into this subject which resulted in a lot of basic and technological achievements. The study of nanostructures can be considered as a natural development of the molecular science, because on the first hand many properties of nanoparticles are formulated in terms of molecular physics and the most of instrumentation used for molecular measurements also utilized in experiments with nanoparticles, on the second hand. The activity of researchers in the field of nanostructures and nanomaterials has stimulated the development of different approaches to synthesis of nanostructures and nanomaterials, measuring their physical, chemical, and mechanical characteristics, simulation of their structural, electronic, mechanical, sorption and other properties. One can mention such lines of inquiry as CVD method of production of nanostructures, X-ray photoelectron spectroscopy, surface enhanced Raman scattering, DFT calculations of electronic properties of nanostructures etc. Development of methods of production of carbon nanomaterials in macroscopic quantities offered possibilities for their practical usage in solar energy, supercapacitors, sensors, polymer-based conductive nanocomposites, electron field emitters and so on. The present Special Issue entitled “Physical analysis of nanomaterials” aims to bring together research and review articles on the latest developments in the synthesis, investigation and practical usage of nanostructures and nanomaterials.

Prof. Dr. Alexander V. Eletskii
Guest Editor

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Keywords

  • carbon nanomaterials
  • molecular dynamics
  • density functional theory
  • Monte-Carlo
  • CVD
  • electron spectroscopy
  • electron microscopy
  • Raman spectroscopy
  • quantum dots
  • polymer nanocomposites
  • percolation conduction
  • dimensional effect
  • electron field emitters
  • solar cells
  • supercapacitors

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Published Papers (2 papers)

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Review

21 pages, 4915 KiB  
Review
Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem
by Daniel Lach, Uladzislau Zhdan, Adam Smolinski and Jaroslaw Polanski
Int. J. Mol. Sci. 2021, 22(10), 5176; https://doi.org/10.3390/ijms22105176 - 13 May 2021
Cited by 8 | Viewed by 3405
Abstract
(1) Background: Properties and descriptors are two forms of molecular in silico representations. Properties can be further divided into functional, e.g., catalyst or drug activity, and material, e.g., X-ray crystal data. Millions of real measured functional property records are available for drugs or [...] Read more.
(1) Background: Properties and descriptors are two forms of molecular in silico representations. Properties can be further divided into functional, e.g., catalyst or drug activity, and material, e.g., X-ray crystal data. Millions of real measured functional property records are available for drugs or drug candidates in online databases. In contrast, there is not a single database that registers a real conversion, TON or TOF data for catalysts. All of the data are molecular descriptors or material properties, which are mainly of a calculation origin. (2) Results: Here, we explain the reason for this. We reviewed the data handling and sharing problems in the design and discovery of catalyst candidates particularly, material informatics and catalyst design, structural coding, data collection and validation, infrastructure for catalyst design and the online databases for catalyst design. (3) Conclusions: Material design requires a property prediction step. This can only be achieved based on the registered real property measurement. In reality, in catalyst design and discovery, we can observe either a severe functional property deficit or even property famine. Full article
(This article belongs to the Special Issue Physical Analysis of Nanomaterials)
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24 pages, 3687 KiB  
Review
Percolation Conduction of Carbon Nanocomposites
by Grigorii S. Bocharov and Alexander V. Eletskii
Int. J. Mol. Sci. 2020, 21(20), 7634; https://doi.org/10.3390/ijms21207634 - 15 Oct 2020
Cited by 18 | Viewed by 2445
Abstract
Carbon nanocomposites present a new class of nanomaterials in which conducting carbon nanoparticles are a small additive to a non-conducting matrix. A typical example of such composites is a polymer matrix doped with carbon nanotubes (CNT). Due to a high aspect ratio of [...] Read more.
Carbon nanocomposites present a new class of nanomaterials in which conducting carbon nanoparticles are a small additive to a non-conducting matrix. A typical example of such composites is a polymer matrix doped with carbon nanotubes (CNT). Due to a high aspect ratio of CNTs, inserting rather low quantity of nanotubes (on the level of 0.01%) results in the percolation transition, which causes the enhancement in the conductivity of the material by 10–12 orders of magnitude. Another type of nanocarbon composite is a film produced as a result of reduction of graphene oxide (GO). Such a film is consisted of GO fragments whose conductivity is determined by the degree of reduction. A distinctive peculiarity of both types of nanocomposites relates to the dependence of the conductivity of those materials on the applied voltage. Such a behavior is caused by a non-ideal contact between neighboring carbon nanoparticles incorporated into the composite. The resistance of such a contact depends sharply on the electrical field strength and therefore on the distance between neighboring nanoparticles. Experiments demonstrating non-linear, non-Ohmic behavior of both above-mentioned types of carbon nanocomposites are considered in the present article. There has been a model description presented of such a behavior based on the quasi-classical approach to the problem of electron tunneling through the barrier formed by the electric field. The calculation results correspond qualitatively to the available experimental data. Full article
(This article belongs to the Special Issue Physical Analysis of Nanomaterials)
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