Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
8.1
4.9
Journals
IJMS
Special Issues
Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials
ijms-logo
Submit to IJMS Review for IJMS Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: closed (20 June 2024) | Viewed by 7647

Special Issue Editors

Dr. Qingwei Liao

E-Mail Website
Guest Editor
Key Laboratory of Sensors Technology, Beijing Information Science & Technology University, Beijing 100192, China
Interests: smart materials; surface and interface science; composites; self-assembly; sensors; pulsed electric field technique; electromagnetic functional material
Special Issues, Collections and Topics in MDPI journals
Dr. Xiuyu Wang

E-Mail Website
Guest Editor
College of Energy Engineering, Zhejiang University, Hangzhou 310058, China
Interests: microfluidic chip technology; micro-nano manufacturing and assembly; nanomagnetics; magnetic-driven micro-nano robots

Special Issue Information

Dear Colleagues,

As a female scientist, I know that it is harder for woman to conduct scientific research. However, both men and women have their own unique skills and can become excellent researchers. Scientific research requires men and women to participate together. However, according to UNESCO's latest report, there are fewer woman in science-related fields. One-third of global science researchers are women, and the gender gap is wider at higher levels. The international community has encouraged women and girls to participate in science and has established the “International Day of Women and Girls in Science”. To encourage more women to join and take an interest in science, International Journal of Molecular Sciences is launching a Special Issue titled: “Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials”. This Special Issue is intended to provide an overview of some of the latest results and key findings in the field of molecular crystal materials. Articles for which the lead authors are women or those that are completely authored by women are encouraged. We welcome submissions from all authors, irrespective of gender.

Dr. Qingwei Liao
Dr. Xiuyu Wang
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.

Women’s Special Issue Series

This Special Issue is part of IJMS's Women’s Special Issue Series, hosted by women editors for women researchers. The Series advocates the advancement of women in science. We invite contributions to the Special Issue whose lead authors identify as women. The submission of articles with all-women authorship is especially encouraged. However, we do welcome articles from all authors, irrespective of gender.

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (5 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

Jump to: Review

17 pages, 8927 KiB  
Article
Thermal Conductivity Enhancement of Doped Magnesium Hydroxide for Medium-Temperature Heat Storage: A Molecular Dynamics Approach and Experimental Validation
by Anti Kur, Jo Darkwa, Mark Worall, John Calautit and Rabah Boukhanouf
Int. J. Mol. Sci. 2024, 25(20), 11139; https://doi.org/10.3390/ijms252011139 - 17 Oct 2024
Viewed by 659
Abstract
Magnesium hydroxide, Mg(OH)2, is recognized as a promising material for medium-temperature heat storage, but its low thermal conductivity limits its full potential application. In this study, thermal enhancement of a developed magnesium hydroxide-potassium nitrate (Mg(OH)2-KNO3) material was [...] Read more.
Magnesium hydroxide, Mg(OH)2, is recognized as a promising material for medium-temperature heat storage, but its low thermal conductivity limits its full potential application. In this study, thermal enhancement of a developed magnesium hydroxide-potassium nitrate (Mg(OH)2-KNO3) material was carried out with aluminum oxide (Al2O3) nanomaterials. The theoretical results obtained through a molecular dynamics (MD) simulation approach showed an enhancement of about 12.9% in thermal conductivity with an optimal 15 wt% of Al2O3. There was also close agreement with the experimental results within an error of ≤10%, thus confirming the reliability of the theoretical approach and the potential of the developed Mg(OH)2-KNO3 as a medium heat storage material. Further investigation is, however, encouraged to establish the long-term recyclability of the material towards achieving a more efficient energy storage process. Full article
(This article belongs to the Special Issue Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials)
►▼ Show Figures

Figure 1

12 pages, 2658 KiB  
Article
Establishing Composition of Solid Solution Based on Single Crystal and Powder X-ray Measurement: The Case of Halogenated Bismuth(III) Complexes with Acetophenone-4-methyl-3-thiosemicarbazone
by Anita M. Grześkiewicz, Grzegorz Dutkiewicz, Ibrahim I. Ozturk and Maciej Kubicki
Int. J. Mol. Sci. 2024, 25(19), 10814; https://doi.org/10.3390/ijms251910814 - 8 Oct 2024
Viewed by 551
Abstract
New bismuth (III) complexes with acetophenone-4-methyl-3-thiosemicarbazone (L) and halogens (Cl and Br) in both bridging and terminal positions have been synthesized and structurally characterized using single-crystal X-ray diffraction. The pure complexes (Cl or Br) were found to be highly isostructural, which motivated our [...] Read more.
New bismuth (III) complexes with acetophenone-4-methyl-3-thiosemicarbazone (L) and halogens (Cl and Br) in both bridging and terminal positions have been synthesized and structurally characterized using single-crystal X-ray diffraction. The pure complexes (Cl or Br) were found to be highly isostructural, which motivated our attempts to create solid solutions of these complexes. A series of such compounds was prepared using various procedures and stoichiometries. A method for determining the mutual concentrations of different halogens, based on the positions of selected peaks in powder diffraction patterns, was tested and compared with other methods. Full article
(This article belongs to the Special Issue Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials)
►▼ Show Figures

Figure 1

16 pages, 6072 KiB  
Article
Synthesis, the Reversible Isostructural Phase Transition, and the Dielectric Properties of a Functional Material Based on an Aminobenzimidazole–Iron Thiocyanate Complex
by Yang Liu, Adila Abuduheni, Fang Yang, Hongzhi Hu and Zunqi Liu
Int. J. Mol. Sci. 2024, 25(16), 9064; https://doi.org/10.3390/ijms25169064 - 21 Aug 2024
Viewed by 600
Abstract
By introducing disordered molecules into a crystal structure, the motion of the disordered molecules easily induces the formation of multidimensional frameworks in functional crystal materials, allowing for structural phase transitions and the realization of various dielectric properties within a certain temperature range. Here, [...] Read more.
By introducing disordered molecules into a crystal structure, the motion of the disordered molecules easily induces the formation of multidimensional frameworks in functional crystal materials, allowing for structural phase transitions and the realization of various dielectric properties within a certain temperature range. Here, we prepared a novel ionic complex [C7H8N3]3[Fe(NCS)6]·H2O (1) between 2-aminobenzimidazole and ferric isothiocyanate from ferric chloride hexahydrate, ammonium thiocyanate, and 2-aminobenzimidazole using the evaporation of the solvent method. The main components, the single-crystal structure, and the thermal and dielectric properties of the complex were characterized using infrared spectroscopy, elemental analysis, single-crystal X-ray diffraction, powder XRD, thermogravimetric analysis, differential scanning calorimetry, variable-temperature and variable-frequency dielectric constant tests, etc. The analysis results indicated that compound 1 belongs to the P21/n space group. Within the crystal structure, the [Fe(NCS)6]3− anion formed a two-dimensional hydrogen-bonded network with the organic cation through S···S interactions and hydrogen bonding. The disorder–order motion of the anions and cations within the crystal and the deformation of the crystal frameworks lead to a significant reversible isostructural phase transition and multiaxial dielectric anomalies of compound 1 at approximately 240 K. Full article
(This article belongs to the Special Issue Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials)
►▼ Show Figures

Figure 1

Review

Jump to: Research

89 pages, 16393 KiB  
Review
Structural Features, Chemical Diversity, and Physical Properties of Microporous Sodalite-Type Materials: A Review
by Nikita V. Chukanov and Sergey M. Aksenov
Int. J. Mol. Sci. 2024, 25(18), 10218; https://doi.org/10.3390/ijms251810218 - 23 Sep 2024
Viewed by 840
Abstract
This review contains data on a wide class of microporous materials with frameworks belonging to the sodalite topological type. Various methods for the synthesis of these materials, their structural and crystal chemical features, as well as physical and chemical properties are discussed. Specific [...] Read more.
This review contains data on a wide class of microporous materials with frameworks belonging to the sodalite topological type. Various methods for the synthesis of these materials, their structural and crystal chemical features, as well as physical and chemical properties are discussed. Specific properties of sodalite-related materials make it possible to consider they as thermally stable ionic conductors, catalysts and catalyst carriers, sorbents, ion exchangers for water purification, matrices for the immobilization of radionuclides and heavy metals, hydrogen and methane storage, and stabilization of chromophores and phosphors. It has been shown that the diversity of properties of sodalite-type materials is associated with the chemical diversity of their frameworks and extra-framework components, as well as with the high elasticity of the framework. Full article
(This article belongs to the Special Issue Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials)
►▼ Show Figures

Graphical abstract

40 pages, 2561 KiB  
Review
Review of Applications of Density Functional Theory (DFT) Quantum Mechanical Calculations to Study the High-Pressure Polymorphs of Organic Crystalline Materials
by Ewa Napiórkowska, Katarzyna Milcarz and Łukasz Szeleszczuk
Int. J. Mol. Sci. 2023, 24(18), 14155; https://doi.org/10.3390/ijms241814155 - 15 Sep 2023
Cited by 15 | Viewed by 4533
Abstract
Since its inception, chemistry has been predominated by the use of temperature to generate or change materials, but applications of pressure of more than a few tens of atmospheres for such purposes have been rarely observed. However, pressure is a very effective thermodynamic [...] Read more.
Since its inception, chemistry has been predominated by the use of temperature to generate or change materials, but applications of pressure of more than a few tens of atmospheres for such purposes have been rarely observed. However, pressure is a very effective thermodynamic variable that is increasingly used to generate new materials or alter the properties of existing ones. As computational approaches designed to simulate the solid state are normally tuned using structural data at ambient pressure, applying them to high-pressure issues is a highly challenging test of their validity from a computational standpoint. However, the use of quantum chemical calculations, typically at the level of density functional theory (DFT), has repeatedly been shown to be a great tool that can be used to both predict properties that can be later confirmed by experimenters and to explain, at the molecular level, the observations of high-pressure experiments. This article’s main goal is to compile, analyze, and synthesize the findings of works addressing the use of DFT in the context of molecular crystals subjected to high-pressure conditions in order to give a general overview of the possibilities offered by these state-of-the-art calculations. Full article
(This article belongs to the Special Issue Women’s Special Issue Series: Recent Advances in Molecular Crystal Materials)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-5
Back to TopTop