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

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Special Issue Editors

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

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Published Papers (1 paper)

Research

23 pages, 6508 KiB

Open AccessArticle

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://0-doi-org.brum.beds.ac.uk/10.3390/ma17102447 - 19 May 2024

Viewed by 300

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 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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