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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 19534

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Dr. Giuseppe Cirillo

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Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, 87036 Rende, Italy
Interests: nanomaterials; biomaterials; carbon nanostructures; composite and hybrid materials; biomedical applications of functional materials; therapeutic devices; surface chemistry
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Dear Colleagues,

This Special Issue of Molecules is dedicated to recent advances in the research area of materials chemistry and comprises a selection of exclusive papers of the Editorial Board Members (EBMs) of the Materials Chemistry Section. The Section collects either research articles highlighting interesting results of the research groups of our Section’s EBMs or review articles where our Section’s EBMs discuss key topics in the field. This Special Issue aims to represent our young section as an attractive open-access publishing platform for materials chemistry research.

Dr. Giuseppe Cirillo
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Published Papers (6 papers)

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Research

11 pages, 6598 KiB

Open AccessArticle

Influence of Hexagonal Boron Nitride on Electronic Structure of Graphene

by Jingran Liu, Chaobo Luo, Haolin Lu, Zhongkai Huang, Guankui Long and Xiangyang Peng

Molecules 2022, 27(12), 3740; https://doi.org/10.3390/molecules27123740 - 10 Jun 2022

Cited by 6 | Viewed by 2697

Abstract

By performing first-principles calculations, we studied hexagonal-boron-nitride (hBN)-supported graphene, in which moiré structures are formed due to lattice mismatch or interlayer rotation. A series of graphene/hBN systems has been studied to reveal the evolution of properties with respect to different twisting angles (21.78°, 13.1°, 9.43°, 7.34°, 5.1°, and 3.48°). Although AA- and AB-stacked graphene/hBN are gapped at the Dirac point by about 50 meV, the energy gap of the moiré graphene/hBN, which is much more asymmetric, is only about several meV. Although the Dirac cone of graphene residing in the wide gap of hBN is not much affected, the calculated Fermi velocity is found to decrease with the increase in the moiré super lattice constant due to charge transfer. The periodic potential imposed by hBN modulated charge distributions in graphene, leading to the shift of graphene bands. In agreement with experiments, there are dips in the calculated density of states, which get closer and closer to the Fermi energy as the moiré lattice grows larger. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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13 pages, 1436 KiB

Open AccessArticle

Synthesis, Characterization, and Thin-Film Transistor Response of Benzo[i]pentahelicene-3,6-dione

by Maria Paola Bracciale, Guhyun Kwon, Dongil Ho, Choongik Kim, Maria Laura Santarelli and Assunta Marrocchi

Molecules 2022, 27(3), 863; https://doi.org/10.3390/molecules27030863 - 27 Jan 2022

Cited by 2 | Viewed by 2869

Abstract

Organic semiconductors hold the promise of simple, large area solution deposition, low thermal budgets as well as compatibility with flexible substrates, thus emerging as viable alternatives for cost-effective (opto)-electronic devices. In this study, we report the optimized synthesis and characterization of a helically shaped polycyclic aromatic compound, namely benzo[i]pentahelicene-3,6-dione, and explored its use in the fabrication of organic field effect transistors. In addition, we investigated its thermal, optical absorption, and electrochemical properties. Finally, the single crystal X-ray characterization is reported. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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13 pages, 4202 KiB

Open AccessArticle

Mineralized Polyvinyl Alcohol/Sodium Alginate Hydrogels Incorporating Cellulose Nanofibrils for Bone and Wound Healing

by Ragab E. Abouzeid, Ahmed Salama, Esmail M. El-Fakharany and Vincenzo Guarino

Molecules 2022, 27(3), 697; https://doi.org/10.3390/molecules27030697 - 21 Jan 2022

Cited by 20 | Viewed by 3783

Abstract

Bio sustainable hydrogels including tunable morphological and/or chemical cues currently offer a valid strategy of designing innovative systems to enhance healing/regeneration processes of damaged tissue areas. In this work, TEMPO-oxidized cellulose nanofibrils (T-CNFs) were embedded in alginate (Alg) and polyvinyl alcohol (PVA) solution to form a stable mineralized hydrogel. A calcium chloride reaction was optimized to trigger a crosslinking reaction of polymer chains and mutually promote in situ mineralization of calcium phosphates. FTIR, XRD, SEM/EDAX, and TEM were assessed to investigate the morphological, chemical, and physical properties of different mineralized hybrid hydrogels, confirming differences in the deposited crystalline nanostructures, i.e., dicalcium phosphate dehydrate (DCPDH) and hydroxyapatite, respectively, as a function of applied pH conditions (i.e., pH 4 or 8). Moreover, in vitro tests, in the presence of HFB-4 and HSF skin cells, confirmed a low cytotoxicity of the mineralized hybrid hydrogels, and also highlighted a significant increase in cell viability via MTT tests, preferentially, for the low concentration, crosslinked Alg/PVA/calcium phosphate hybrid materials (<1 mg/mL) in the presence of hydroxyapatite. These preliminary results suggest a promising use of mineralized hybrid hydrogels based on Alg/PVA/T-CNFs for bone and wound healing applications. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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19 pages, 6394 KiB

Open AccessArticle

Novel Foaming-Agent Free Insulating Geopolymer Based on Industrial Fly Ash and Rice Husk

by Samar Beaino, Peter El Hage, Rodolphe Sonnier, Sylvain Seif and Roland El Hage

Molecules 2022, 27(2), 531; https://doi.org/10.3390/molecules27020531 - 14 Jan 2022

Cited by 7 | Viewed by 3645

Abstract

This study highlights the synthesis of a new thermal insulating geopolymer based on the alkaline activation of fly ashes. A porous geopolymer material can be prepared without the addition of a foaming agent, using high ratio solution/ashes (activating solutions used are water, sodium or potassium hydroxide). In order to increase the porosity of the material and to make it more ecological, rice husks are incorporated into the formulation. The geopolymer materials were prepared at room temperature and dried at moderate temperature (105 °C) by a simple procedure. The microstructural characteristics of these new porous geopolymers were assessed by optical microscopy, X-ray diffraction (XRD), thermogravimetric analysis (TGA) and X-ray fluorescence (XRF). Infrared spectroscopy (FTIR) was used to confirm the geopolymerisation. The effect of the ratio solution/ashes and the percentage of the rice husk addition on thermal and mechanical analysis was evaluated. An insulating material for a solution/ashes ratio of 0.9 and a rice husk content of 15% having a λ value of 0.087 W/(m·K), a porosity of 61.4% and an Rc value of 0.1 MPa was successfully prepared. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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10 pages, 2305 KiB

Open AccessArticle

Moisture Stability of Perovskite Solar Cells Processed in Supercritical Carbon Dioxide

by Gilbert Annohene and Gary Tepper

Molecules 2021, 26(24), 7570; https://doi.org/10.3390/molecules26247570 - 14 Dec 2021

Cited by 2 | Viewed by 2699

Abstract

Performance degradation under environmental conditions currently limits the practical utility of perovskite-based solar cells. The moisture stability of CH₃NH₃PbI₃ perovskite films and solar cells was measured during exposure to three different levels of relative humidity. The films were crystallized at two different temperatures with and without simultaneous exposure to supercritical carbon dioxide. The film crystallinity, optical absorption, and device photoconversion efficiency was measured over time for three relative humidity levels and both crystallization methods. It was determined that film crystallization in supercritical CO₂ resulted in significant improvement in moisture stability for films processed at 50 °C, but negligible improvement in stability for films processed at 100 °C. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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16 pages, 18377 KiB

Open AccessArticle

The Impact of Redox, Hydrolysis and Dehydration Chemistry on the Structural and Magnetic Properties of Magnetoferritin Prepared in Variable Thermal Conditions

by Lucia Balejčíková, Karel Saksl, Jozef Kováč, Anne Martel, Vasil M. Garamus, Mikhail V. Avdeev, Viktor I. Petrenko, László Almásy and Peter Kopčanský

Molecules 2021, 26(22), 6960; https://doi.org/10.3390/molecules26226960 - 18 Nov 2021

Cited by 3 | Viewed by 2778

Abstract

Ferritin, a spherically shaped protein complex, is responsible for iron storage in bacteria, plants, animals, and humans. Various ferritin iron core compositions in organisms are associated with specific living requirements, health state, and different biochemical roles of ferritin isomers. Magnetoferritin, a synthetic ferritin derivative, serves as an artificial model system of unusual iron phase structures found in humans. We present the results of a complex structural study of magnetoferritins prepared by controlled in vitro synthesis. Using various complementary methods, it was observed that manipulation of the synthesis technology can improve the physicochemical parameters of the system, which is useful in applications. Thus, a higher synthesis temperature leads to an increase in magnetization due to the formation of the magnetite phase. An increase in the iron loading factor has a more pronounced impact on the protein shell structure in comparison with the pH of the aqueous medium. On the other hand, a higher loading factor at physiological temperature enhances the formation of an amorphous phase instead of magnetite crystallization. It was confirmed that the iron-overloading effect alone (observed during pathological events) cannot contribute to the formation of magnetite. Full article

(This article belongs to the Special Issue Exclusive Papers of the Editorial Board Members of the Materials Chemistry Section of Molecules 2021)

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