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Sustainable Chemistry for Advanced Materials: From Properties to Applications

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

Deadline for manuscript submissions: closed (20 June 2023) | Viewed by 1331

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Faculty of Chemistry, Jagiellonian University, 30-387 Kraków, Poland
Interests: nanotechnology; sustainable chemistry; biomedicine; hybrid materials; materials engineering; surface functionalization
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Special Issue Information

Dear Colleagues,

Advanced materials are used for production of consumer goods, cleaning products, cosmetics, chemotherapeutics, and variety of other materials. Thus, they are essential for many sectors such as public health, industry, mobility, constructions, high living standards, and many others. Noteworthy, design and production of advanced materials have also become one of the biggest challenges of the sustainable development of humanity today. Innovative materials, including nanomaterials, should be designed with a purpose to have novel and enhanced properties over conventional materials in products and processes. To guide the design of novel advanced materials, a fundamental understanding of their structure–property relationship is necessary. Based on this understanding, we are able to develop methodologies for the fine control of the material structures, and manufacturing process of their synthesis with enhanced efficiency and stability. Undoubtedly, our common future depends largely on novel advanced materials obtained according to the rules of sustainable chemistry. Thus, to meet the growing demand for novel advanced materials in many aspects of our life, a sustainable engineering should be applied to make them more attractive and competitive in terms of properties and applications. This special issue highlights the advances in synthesis, characterization and applications of various novel nanostructured materials, ranging from 0D to 3D materials, in different potential applications.

Dr. Agnieszka Kyzioł
Guest Editor

Manuscript Submission Information

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Keywords

  • advanced materials
  • nanotechnology
  • sustanaible chemistry

Published Papers (1 paper)

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Research

26 pages, 6517 KiB  
Article
Effect of Magnesium Substitution on Structural Features and Properties of Hydroxyapatite
by Vladimir S. Bystrov, Ekaterina V. Paramonova, Leon A. Avakyan, Natalya V. Eremina, Svetlana V. Makarova and Natalia V. Bulina
Materials 2023, 16(17), 5945; https://doi.org/10.3390/ma16175945 - 30 Aug 2023
Cited by 4 | Viewed by 1074
Abstract
Hydroxyapatite (HAP) is the main mineral component of bones and teeth. It is widely used in medicine as a bone filler and coating for implants to promote new bone growth. Ion substitutions into the HAP structure highly affect its properties. One of the [...] Read more.
Hydroxyapatite (HAP) is the main mineral component of bones and teeth. It is widely used in medicine as a bone filler and coating for implants to promote new bone growth. Ion substitutions into the HAP structure highly affect its properties. One of the most important substituents is magnesium. This paper presents new results obtained using high-precision hybrid density functional theory calculations for Mg/Ca substitutions in HAP in a wide magnesium concentration range within a 2 × 2 × 2 supercell model. Experimental data on the mechanochemical synthesis of HAP-Mg samples with different Mg concentrations are also presented. A comparison between the experiment and the theory showed good agreement: the HAP-Mg unit cell parameters and volume decreased with increasing degree of Mg/Ca substitution. The changes in the distances between the Ca and O, Ca and H, and Mg and O ions upon Mg/Ca substitution in different calcium positions was analyzed. The resulting asymmetry and distortion of the cell parameters were evaluated. It was shown that bulk modulus, energy levels, and band gap depend on the degree of Mg substitutions in the Ca1 and Ca2 positions. The formation energies of Mg/Ca substitutions showed non-monotonic behavior that was different for Ca1 and Ca2 positions. The Ca2 position had a slightly higher probability (~5 meV/f.u.) of substitution than Ca1 position at a Mg concentration x = 0.5. At x = 1, substitution in both positions can coexist. The simulated IR spectra for different Mg/Ca substitutions showed that Mg in the Ca2 position changes the IR spectrum more significantly than Mg in the Ca1 position. Similar changes were recorded in the IR spectra of the synthesized samples. The electronic structure is shown to be sensitive to the number and position of substitutions, which may be used to tweak the optical properties of the HAP-Mg material. Full article
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