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Size-Dependent Effects in Materials for Environmental Protection and Energy Application...
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Size-Dependent Effects in Materials for Environmental Protection and Energy Application (2nd Edition)

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: 20 January 2025 | Viewed by 1116

Special Issue Editors

Prof. Dr. Radostina Stoyanova

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Guest Editor
Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
Interests: solid state chemistry; materials for energy storage; lithium ion batteries; sodium ion batteries; electron paramagnetic resonance spectroscopy; structure characterization; intercalation chemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Albena Bachvarova-Nedelcheva

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Guest Editor
Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria
Interests: oxide glasses; structural characterization; thermal stability; optical properties; sol–gel synthesis; hybrid materials; photocatalytic properties; antibacterial properties
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Ivelina Georgieva

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Guest Editor
Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 11 Acad. G. Bonchev Str., 1113 Sofia, Bulgaria
Interests: theoretical and computational chemistry; molecular modeling; molecular and periodic structures; spectroscopis properties; optical materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Size-dependent effects in nanostructured materials (nanocrystalline, nanophase, or nanocomposite) are highly significant for both fundamental considerations and contemporary technology. When discussing nanostructured materials, the impact of nanoparticle/nanocrystallite size on surface energy, melting temperature, phase transitions, and phase equilibriums must be taken into consideration. Additional elements, including the non-uniform distribution of grain sizes, residual stresses and pores, interface structure, and grain boundary segregations, also impact the exploration of unresolved problems.

Understanding the size-dependent properties of materials continues to be one of the most challenging issues in advanced materials science. This is largely a result of the technological requirements involved in the development of materials with controlled properties, as well as of the recent progress in materials science, nanotechnology and computational chemistry.

The aim of the present Special Issue is to extend the discussion of the dimensional effects in materials for environmental protection and clean energy production as an innovative approach for the development of innovative materials with improved properties. The issue will comprise (but is not limited to) three main classes of advanced inorganic materials which form the basis of modern technologies:

- Materials and thin films for environmental protection;

- Materials for clean energy storage;

- Ceramics/bioceramics and glasses for better living (with applications in optics, molecular electronics and medicine).

Prof. Dr. Radostina Stoyanova
Dr. Albena Bachvarova-Nedelcheva
Prof. Dr. Ivelina Georgieva
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 submissions that pass pre-check are 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. Materials is an international peer-reviewed open access semimonthly 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 2600 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

  • advanced inorganic materials
  • chemistry of materials
  • computational chemistry
  • catalysts/sorbents
  • electrode materials for rechargeable batteries
  • hydrogen storage materials
  • glasses and ceramics
  • optics
  • molecular electronics
  • bio-compatible materials

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Related Special Issue

Published Papers (2 papers)

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Research

14 pages, 8182 KiB  
Article
The Influence of High-Energy Milling on the Phase Formation, Structural, and Photoluminescent Properties of CaWO4 Nanoparticles
by Reni Iordanova, Maria Gancheva, Iovka Koseva, Peter Tzvetkov and Petar Ivanov
Materials 2024, 17(15), 3724; https://doi.org/10.3390/ma17153724 - 27 Jul 2024
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Abstract
CaWO4 nanoparticles were obtained by facile mechanochemical synthesis at room temperature, applying two different milling speeds. Additionally, a solid-state reaction was employed to assess the phase composition, structural, and optical characteristics of CaWO4. The samples were analyzed by X-ray diffraction [...] Read more.
CaWO4 nanoparticles were obtained by facile mechanochemical synthesis at room temperature, applying two different milling speeds. Additionally, a solid-state reaction was employed to assess the phase composition, structural, and optical characteristics of CaWO4. The samples were analyzed by X-ray diffraction (XRD), transition electron microscopy (TEM), and Raman, infrared (IR), ultraviolet–visible (UV–Vis) reflectance, and photoluminescence (PL) spectroscopies. The phase formation of CaWO4 was achieved after 1 and 5 h of applied milling speeds of 850 and 500 rpm, respectively. CaWO4 was also obtained after heat treatment at 900 °C for 12 h. TEM and X-ray analyses were used to calculate the average crystallite and grain size. The Raman and infrared spectroscopies revealed the main vibrations of the WO4 groups and indicated that more distorted structural units were formed when the compound was synthesized by the solid-state method. The calculated value of the optical band gap of CaWO4 significantly increased from 2.67 eV to 4.53 eV at lower and higher milling speeds, respectively. The determined optical band gap of CaWO4, prepared by a solid-state reaction, was 5.36 eV. Blue emission at 425 (422) nm was observed for all samples under an excitation wavelength of 230 nm. CaWO4 synthesized by the solid-state method had the highest emission intensity. It was established that the intensity of the PL peak depended on two factors: the morphology of the particles and the crystallite sizes. The calculated color coordinates of the CaWO4 samples were located in the blue region of the CIE diagram. This work demonstrates that materials with optical properties can be obtained simply and affordably using the mechanochemical method. Full article
(This article belongs to the Special Issue Size-Dependent Effects in Materials for Environmental Protection and Energy Application (2nd Edition))
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23 pages, 6508 KiB  
Article
The Influence of the Alkylamino Group on the Solvatochromic Behavior of 5-(4-substituted-arylidene)-1,3-dimethylpyrimidine-2,4,6-triones: Synthesis, Spectroscopic and Computational Studies
by Ilona Pyszka, Przemysław Krawczyk and Beata Jędrzejewska
Materials 2024, 17(10), 2447; https://doi.org/10.3390/ma17102447 - 19 May 2024
Viewed by 516
Abstract
Advances in electronics and medical diagnostics have made organic dyes extremely popular as key functional materials. From a practical viewpoint, it is necessary to assess the spectroscopic and physicochemical properties of newly designed dyes. In this context, the condensation of 1,3-dimethylbarbituric acid with [...] Read more.
Advances in electronics and medical diagnostics have made organic dyes extremely popular as key functional materials. From a practical viewpoint, it is necessary to assess the spectroscopic and physicochemical properties of newly designed dyes. In this context, the condensation of 1,3-dimethylbarbituric acid with electron-rich alkylaminobenzaldehyde derivatives has been described, resulting in a series of merocyanine-type dyes. These dyes exhibit intense blue-light absorption but weak fluorescence. An electron-donating alkylamino group at position C4 is responsible for the solvatochromic behavior of the dyes since the lone electron pair of the nitrogen atom is variably delocalized toward the barbituric ring, which exhibits electron-withdrawing properties. This was elucidated, taking into account the different geometry of the amino group. The intramolecular charge transfer in the molecules is responsible for the relatively high redshift in absorption and fluorescence spectra. Additionally, an increase in solvent polarity moves the absorption and fluorescence to lower energy regions. The observed solvatochromism is discussed in terms of the four-parameter Catalán solvent polarity scale. The differences in the behavior of the dyes were quantified with the aid of time-dependent density functional theory calculations. The obtained results made it possible to find regularities linking the basic spectroscopic properties of the compounds with their chemical structure. This is important in the targeted search for new, practically important dyes. Full article
(This article belongs to the Special Issue Size-Dependent Effects in Materials for Environmental Protection and Energy Application (2nd Edition))
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