Special Issue "Functional Multi-Scale Crystals"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: closed (15 January 2018)

Special Issue Editors

Guest Editor
Dr. Julien Haines

Institut Charles Gerhardt, CNRS Centre National de la Recherche Scientifique, Université de Montpellier, Montpellier, France
Website | E-Mail
Guest Editor
Dr. Jérôme Rouquette

Institut Charles Gerhardt, CNRS Centre National de la Recherche Scientifique, Université de Montpellier, Montpellier, France
Website | E-Mail

Special Issue Information

Dear Colleagues,

The dimensions of materials have an extremely strong influence on their physical properties.  Designing materials with distinct structures at different length scales, from the nanoscale up to the macroscopic scale, can yield novel and potentially exceptional caracteristics, which may be of great interest for a variety of applications as functional materials. These can include optical, mechanical, electonic, magnetic, energy conversion and storage applications among others. The goal of this Special Issue “Functional Multi-Scale Crystals” is to provide an overview of current knowledge in the design of the next generation of functional multiscale materials.

This Special Issue deals with the design and synthesis of such materials, the study of their  crystal structures, topology and morphology over different length scales and the study of their properties and potential applications as functional materials. Such materials include, but are not limited to, those listed below in the keywords and other related materials. Contributions are invited on a wide range of topics in this general research area.

Dr. Julien  Haines
Dr. Jérôme  Rouquette
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 papers will be 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. Crystals is an international peer-reviewed open access monthly 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 1200 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

  • Porous materials (Zeolites, Metal Organic frameworks)
  • Cage-type materials
  • Nanocomposites
  • Host&ndash
  • guest systems
  • Inclusion phenomena in functional materials
  • Multi-scale crystalline solids

Published Papers (4 papers)

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Research

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Open AccessArticle Unravelling the High-Pressure Behaviour of Dye-Zeolite L Hybrid Materials
Crystals 2018, 8(2), 79; doi:10.3390/cryst8020079
Received: 11 January 2018 / Revised: 26 January 2018 / Accepted: 29 January 2018 / Published: 2 February 2018
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Abstract
Self-assembly of chromophores nanoconfined in porous materials such as zeolite L has led to technologically relevant host-guest systems exploited in solar energy harvesting, photonics, nanodiagnostics and information technology. The response of these hybrid materials to compression, which would be crucial to enhance their
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Self-assembly of chromophores nanoconfined in porous materials such as zeolite L has led to technologically relevant host-guest systems exploited in solar energy harvesting, photonics, nanodiagnostics and information technology. The response of these hybrid materials to compression, which would be crucial to enhance their application range, has never been explored to date. By a joint high-pressure in situ synchrotron X-ray powder diffraction and ab initio molecular dynamics approach, herein we unravel the high-pressure behaviour of hybrid composites of zeolite L with fluorenone dye. High-pressure experiments were performed up to 6 GPa using non-penetrating pressure transmitting media to study the effect of dye loading on the structural properties of the materials under compression. Computational modelling provided molecular-level insight on the response to compression of the confined dye assemblies, evidencing a pressure-induced strengthening of the interaction between the fluorenone carbonyl group and zeolite L potassium cations. Our results reveal an impressive stability of the fluorenone-zeolite L composites at GPa pressures. The remarkable resilience of the supramolecular organization of dye molecules hyperconfined in zeolite L channels may open the way to the realization of optical devices able to maintain their functionality under extreme conditions. Full article
(This article belongs to the Special Issue Functional Multi-Scale Crystals)
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Open AccessArticle Solvent-Free Synthesis of All Silica Beta Zeolite in the Presence of Tetraethylammonium Bromide
Crystals 2018, 8(2), 73; doi:10.3390/cryst8020073
Received: 31 December 2017 / Revised: 27 January 2018 / Accepted: 30 January 2018 / Published: 1 February 2018
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Abstract
We report a solvent-free synthesis of all silica Beta zeolite using a cheap organic template of tetraethylammonium bromide (TEABr). The method includes mixing, grinding and heating solid raw material in the absence of water solvent but the presence of zeolite seeds. The absence
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We report a solvent-free synthesis of all silica Beta zeolite using a cheap organic template of tetraethylammonium bromide (TEABr). The method includes mixing, grinding and heating solid raw material in the absence of water solvent but the presence of zeolite seeds. The absence of water solvent significantly improves the efficiency of synthesis, while the addition of seeds remarkably enhances the crystallization rate. In addition, the use of a cheap organic template of TEABr greatly decreases the synthesis cost. The effects of the reaction compositions, including the molar ratios of NH4F/SiO2, TEABr/SiO2, and mass ratios of seeds to the silica, on the synthesis of the pure product were investigated using different temperature. Physicochemical characterizations, including XRD, SEM, TG and N2 sorption, show that the zeolitic product has good crystallinity, uniform crystals, and high surface area. Full article
(This article belongs to the Special Issue Functional Multi-Scale Crystals)
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Open AccessArticle Ultrathin g-C3N4 Nanosheet-Modified BiOCl Hierarchical Flower-Like Plate Heterostructure with Enhanced Photostability and Photocatalytic Performance
Crystals 2017, 7(9), 266; doi:10.3390/cryst7090266
Received: 22 July 2017 / Revised: 22 August 2017 / Accepted: 30 August 2017 / Published: 31 August 2017
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Abstract
A novel ultrathin g-C3N4 nanosheet-modified BiOCl hierarchical flower-like plate heterostructure (abbreviated as BC/CN) was constructed via a thermal polymerization of urea precursor followed with hydrolysis route. The as-prepared samples were well characterized by various analytical techniques. The morphological observation showed
[...] Read more.
A novel ultrathin g-C3N4 nanosheet-modified BiOCl hierarchical flower-like plate heterostructure (abbreviated as BC/CN) was constructed via a thermal polymerization of urea precursor followed with hydrolysis route. The as-prepared samples were well characterized by various analytical techniques. The morphological observation showed that hierarchical flower-like BiOCl nanoplates were discretely anchored on the surface of ultra-thin C3N4 nanosheets. The photocatalytic performance of the as-prepared photocatalysts was evaluated by degradation of methylene blue (MB) under visible-light irradiation. The results showed that BC/CN photocatalyst exhibited enhanced photostability and photocatalytic performance in the degradation process. On the basis of experimental results and the analysis of band energy structure, it could be inferred that the enhanced photocatalytic performance of BC/CN photocatalyst was intimately related with the hybridization of hierarchical flower-like BiOCl nanoplates with ultrathin g-C3N4 nanosheets, which provided good adsorptive capacity, extended light absorption, suppressed the recombination of photo-generated electron–hole pairs, and facilitated charge transfer efficiently. Full article
(This article belongs to the Special Issue Functional Multi-Scale Crystals)
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Review

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Open AccessReview Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds
Crystals 2018, 8(2), 80; doi:10.3390/cryst8020080
Received: 13 January 2018 / Revised: 27 January 2018 / Accepted: 29 January 2018 / Published: 2 February 2018
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Abstract
The quest for solid-state materials with tailored chemical and physical features stimulates the search for general prescriptions to recognize and forecast their electronic structures providing valuable information about the experimentally determined bulk properties at the atomic scale. Although the concepts first introduced by
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The quest for solid-state materials with tailored chemical and physical features stimulates the search for general prescriptions to recognize and forecast their electronic structures providing valuable information about the experimentally determined bulk properties at the atomic scale. Although the concepts first introduced by Zintl and Hume–Rothery help to understand and forecast the bonding motifs in several intermetallic compounds, there is an emerging group of compounds dubbed as polar intermetallic phases whose electronic structures cannot be categorized by the aforementioned conceptions. These polar intermetallic compounds can be divided into two categories based on the building units in their crystal structures and the expected charge distributions between their components. On the one hand, there are polar intermetallic compounds composed of polycationic clusters surrounded by anionic ligands, while, on the other hand, the crystal structures of other polar intermetallic compounds comprise polyanionic units combined with monoatomic cations. In this review, we present the quantum chemical techniques to gain access to the electronic structures of polar intermetallic compounds, evaluate certain trends from a survey of the electronic structures of diverse polar intermetallic compounds, and show options based on quantum chemical approaches to predict the properties of such materials. Full article
(This article belongs to the Special Issue Functional Multi-Scale Crystals)
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