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New Trends in Crystalline Materials
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New Trends in Crystalline Materials

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

Deadline for manuscript submissions: closed (20 February 2023) | Viewed by 11934

Special Issue Editors

Dr. Musheer Ahmad

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Guest Editor
Department of Applied Chemistry, Zakir Husain College of Engineering and Technology, Faculty of Engineering and Technology, Aligarh Muslim University, Aligarh 202002, UP, India
Interests: coordination polymers; supramolecular chemistry; crystal engineering; crystallography
Special Issues, Collections and Topics in MDPI journals
Dr. Kafeel Ahmad Siddiqui

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Guest Editor
Department of Chemistry, National Institute of Technology Raipur, G.E.Road, Raipur Chhatisgarh 492010, India
Interests: crystal engineering
Dr. Mohd Afzal

E-Mail Website
Guest Editor
Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
Interests: coordination chemistry; biophysical chemistry; crystal engineering; crystallography; magnetism
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The scientific research and development in the area of crystalline material covers the synthesis, crystal structural study, physicochemical properties, and applications of solid crystals (inorganic, organic, hybrid, and organometallic). The crystalline materials genome can change the concept and mode of material research and development by integrating high-throughput computing, high-throughput experiment, and materials database technologies. Indeed, the synthesis and the physicochemical characterization of solid materials with interesting physical properties can bring us back to the specific applications related to their crystalline structures. As part of the crystalline materials research for biologically active molecules, groups of organic heterocycles also play a pivotal role toward the intended biological target for the development of new therapeutic lead molecules.

Our goal is to gather all the ongoing research and development on crystalline materials to develop a deeper understanding of synthesis, single and powder XRD, supramolecular assembly of coordination polymers, molecular magnetism, small molecular structures, both experimental and theoretical/computational modeling, and molecular drug interaction in different bio-mimicking media. This, in turn, will allow us to gather information regarding molecular assembly through weak forces (especially Hydrogen Bond) and covalent and coordination bonds to develop strategies for building new molecules with interesting supramolecular structures and functions that extend far beyond small molecules to advanced technological and daily use applications. X-ray crystallography plays an important role in structure-based drug design (SBDD) and accurate analysis of crystal structures of target macromolecules and macromolecule–ligand complexes, which have always been shown to have a critical structure–property relationship at all stages.

Dr. Musheer Ahmad
Dr. Kafeel Ahmad Siddiqui
Dr. Mohd Afzal
Guest Editors

Manuscript Submission Information

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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

  • crystal and molecular structure
  • supramolecular chemistry
  • heterocyclic molecules
  • coordination polymers/polymeric materials
  • bioactive compounds
  • nanomaterials
  • biomaterials
  • composites
  • nanoparticles
  • bio-nanomedicine

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Published Papers (6 papers)

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Research

28 pages, 6187 KiB  
Article
Crystal Structure, Raman, FTIR, UV-Vis Absorption, Photoluminescence Spectroscopy, TG–DSC and Dielectric Properties of New Semiorganic Crystals of 2-Methylbenzimidazolium Perchlorate
by Elena Balashova, Andrey Zolotarev, Aleksandr A. Levin, Valery Davydov, Sergey Pavlov, Alexander Smirnov, Anatoly Starukhin, Boris Krichevtsov, Hongjun Zhang, Fangzhe Li, Huijiadai Luo and Hua Ke
Materials 2023, 16(5), 1994; https://doi.org/10.3390/ma16051994 - 28 Feb 2023
Cited by 3 | Viewed by 3264
Abstract
Single crystals of 2-methylbenzimidazolium perchlorate were prepared for the first time with a slow evaporation method from an aqueous solution of a mixture of 2-methylbenzimidazole (MBI) crystals and perchloric acid HClO4. The crystal structure was determined by single crystal X-ray diffraction [...] Read more.
Single crystals of 2-methylbenzimidazolium perchlorate were prepared for the first time with a slow evaporation method from an aqueous solution of a mixture of 2-methylbenzimidazole (MBI) crystals and perchloric acid HClO4. The crystal structure was determined by single crystal X-ray diffraction (XRD) and confirmed by XRD of powder. Angle-resolved polarized Raman and Fourier-transform infrared (FTIR) absorption spectra of crystals consist of lines caused by molecular vibrations in MBI molecule and ClO4− tetrahedron in the region ν = 200–3500 cm−1 and lattice vibrations in the region of 0–200 cm−1. Both XRD and Raman spectroscopy show a protonation of MBI molecule in the crystal. An analysis of ultraviolet-visible (UV-Vis) absorption spectra gives an estimation of an optical gap Eg~3.9 eV in the crystals studied. Photoluminescence spectra of MBI-perchlorate crystals consist of a number of overlapping bands with the main maximum at Ephoton ≅ 2.0 eV. Thermogravimetry-differential scanning calorimetry (TG-DSC) revealed the presence of two first-order phase transitions with different temperature hysteresis at temperatures above room temperature. The higher temperature transition corresponds to the melting temperature. Both phase transitions are accompanied by a strong increase in the permittivity and conductivity, especially during melting, which is similar to the effect of an ionic liquid. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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15 pages, 5026 KiB  
Article
Electrical and Gas Sensor Properties of Nb(V) Doped Nanocrystalline β-Ga2O3
by Matvei Andreev, Maxim Topchiy, Andrey Asachenko, Artemii Beltiukov, Vladimir Amelichev, Alina Sagitova, Sergey Maksimov, Andrei Smirnov, Marina Rumyantseva and Valeriy Krivetskiy
Materials 2022, 15(24), 8916; https://doi.org/10.3390/ma15248916 - 13 Dec 2022
Cited by 4 | Viewed by 2096
Abstract
A flame spray pyrolysis (FSP) technique was applied to obtain pure and Nb(V)-doped nanocrystalline β-Ga2O3, which were further studied as gas sensor materials. The obtained samples were characterized with XRD, XPS, TEM, Raman spectroscopy and BET method. Formation of [...] Read more.
A flame spray pyrolysis (FSP) technique was applied to obtain pure and Nb(V)-doped nanocrystalline β-Ga2O3, which were further studied as gas sensor materials. The obtained samples were characterized with XRD, XPS, TEM, Raman spectroscopy and BET method. Formation of GaNbO4 phase is observed at high annealing temperatures. Transition of Ga(III) into Ga(I) state during Nb(V) doping prevents donor charge carriers generation and hinders considerable improvement of electrical and gas sensor properties of β-Ga2O3. Superior gas sensor performance of obtained ultrafine materials at lower operating temperatures compared to previously reported thin film Ga2O3 materials is shown. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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13 pages, 4101 KiB  
Article
Recrystallization of Si Nanoparticles in Presence of Chalcogens: Improved Electrical and Optical Properties
by Alexander Vinokurov, Vadim Popelensky, Sergei Bubenov, Nikolay Kononov, Kirill Cherednichenko, Tatyana Kuznetsova and Sergey Dorofeev
Materials 2022, 15(24), 8842; https://doi.org/10.3390/ma15248842 - 11 Dec 2022
Cited by 2 | Viewed by 1422
Abstract
Nanocrystals of Si doped with S, Se and Te were synthesized by annealing them in chalcogen vapors in a vacuum at a high temperature range from 800 to 850 °C. The influence of the dopant on the structure and morphology of the particles [...] Read more.
Nanocrystals of Si doped with S, Se and Te were synthesized by annealing them in chalcogen vapors in a vacuum at a high temperature range from 800 to 850 °C. The influence of the dopant on the structure and morphology of the particles and their optical and electrical properties was studied. In the case of all three chalcogens, the recrystallization of Si was observed, and XRD peaks characteristic of noncubic Si phases were found by means of electronic diffraction for Si doped with S and Se. Moreover, in presence of S and Te, crystalline rods with six-sided and four-sided cross-sections, respectively, were formed, their length reaching hundreds of μm. Samples with sulfur and selenium showed high conductivity compared to the undoped material. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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11 pages, 2824 KiB  
Article
Static and Resonant Properties and Magnetic Phase Diagram of LiMn2TeO6
by Tatyana Vasilchikova, Evgeniya Vavilova, Timur Salikhov, Vladimir Nalbandyan, Shanu Dengre, Rajib Sarkar, Hans-Henning Klauss and Alexander Vasiliev
Materials 2022, 15(23), 8694; https://doi.org/10.3390/ma15238694 - 6 Dec 2022
Viewed by 1527
Abstract
Physical properties of the mixed-valent tellurate of lithium and manganese, LiMn2TeO6, were investigated in measurements of ac and dc magnetic susceptibility χ, magnetization M, specific heat Cp, electron spin resonance (ESR), and nuclear magnetic resonance [...] Read more.
Physical properties of the mixed-valent tellurate of lithium and manganese, LiMn2TeO6, were investigated in measurements of ac and dc magnetic susceptibility χ, magnetization M, specific heat Cp, electron spin resonance (ESR), and nuclear magnetic resonance (NMR) in the temperature range 2–300 K under magnetic field up to 9 T. The title compound orders magnetically in two steps at T1 = 20 K and T2 = 13 K. The intermediate phase at T2 < T < T1 is fully suppressed by magnetic field µ0H of about 4 T. Besides magnetic phases transitions firmly established in static measurements, relaxation-type phenomena were observed well above magnetic ordering temperature in resonant measurements. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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15 pages, 3838 KiB  
Article
Structural, Optical, and Magnetic Studies of the Metallic Lead Effect on MnO2-Pb-PbO2 Vitroceramics
by Simona Rada, Mihaela Unguresan, Mioara Zagrai and Adriana Popa
Materials 2022, 15(22), 8061; https://doi.org/10.3390/ma15228061 - 15 Nov 2022
Cited by 1 | Viewed by 1336
Abstract
MnO2-lead materials have attracted attention in their applications as electrodes. This work reports a detailed spectroscopic study of the compositional variation of MnO2-xLead vitroceramic materials with varied Pb contents. The concentration variation of lead and manganese ions issystematically characterized [...] Read more.
MnO2-lead materials have attracted attention in their applications as electrodes. This work reports a detailed spectroscopic study of the compositional variation of MnO2-xLead vitroceramic materials with varied Pb contents. The concentration variation of lead and manganese ions issystematically characterized throughthe analysis of X-ray diffraction (XRD), Fourier transform infrared (FTIR), ultraviolet–visible (UV–Vis), and electron paramagnetic resonance (EPR) spectroscopy.The MnO2-xLead samples consist of a vitroceramic structure with Pb, PbO, PbO2,and Mn3O4 crystalline phases. The introduction of higher Pb content in the host vitroceramic reveals the [PbO6]→[PbOn] conversion, where n = 3, 4, and the formation of distorted [MnO6] octahedral units. The UV–Vis data of the samples possess the intense bands between 300 and 500 nm, which are due to the presence of divalent lead ions (320 nm) and divalent and trivalent manganese ions (420 and 490 nm, respectively) in the structure of glass ceramics. The EPR data show resonance lines located around g ~ 8 and 4.3, and a sextet hyperfine structure at g ~ 2, which isascribed to the Mn+3 and Mn+2 ions. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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21 pages, 3808 KiB  
Article
Comparative Study on the Crystallography of Isothermal and Athermal Precipitations in HCP–BCC System
by Hongwei Liu
Materials 2022, 15(21), 7484; https://doi.org/10.3390/ma15217484 - 25 Oct 2022
Viewed by 1382
Abstract
Due to the diversity of the lattice parameter ratio c/a of hexagonal structure and precipitation mechanism, a systematic overview of this transformation has not been fully established, which draws back the attempt to control crystallographic features of the precipitates and microstructures [...] Read more.
Due to the diversity of the lattice parameter ratio c/a of hexagonal structure and precipitation mechanism, a systematic overview of this transformation has not been fully established, which draws back the attempt to control crystallographic features of the precipitates and microstructures of applied metals and alloys. Here, a comparative investigation to the crystallography of isothermal and athermal precipitations occurring in the HCP–BCC system was demonstrated in a full range of the lattice parameter ratio by using an invariant deformation element (IDE) model. It was then proposed that a precipitation in the HCP–BCC system could be either of the isothermal type if the observed habit plane Miller index falls into a zone axis of BCC <11w>(w ≠ 0) or HCP 211¯0, or the athermal type when it is found to locate in a zone axis of BCC <11w](w = 0) or HCP [0001]. The crystallographic investigation on the precipitations in the HCP–BCC system in a full range of the lattice parameter may be a practical guide for computing material science when building a crystallographic interface model under an optimised orientation relationship, which is necessary to minimise the transformation system energy. Full article
(This article belongs to the Special Issue New Trends in Crystalline Materials)
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