Special Issue "Selected Papers from "The 1st International Electronic Conference on Crystals""

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (31 July 2018)

Special Issue Editors

Guest Editor
Prof. Dr. Alberto Girlando

Dipartimento di Chimica, Parma University, Italy
Website | E-Mail
Interests: molecular functional materials; organic semiconductors; organic superconductors; charge-transfer crystals; neutral–ionic phase transition; optical spectroscopy; chemical physics of organic solid state
Guest Editor
Prof. Dr. Abel Moreno

Instituto de Química, Universidad Nacional Autonoma de Mexico, Mexico City, 04510, Mexico
Website | E-Mail
Interests: Protein Crystallogenesis, Crystal Growth, Crystallochemistry, Biomineralization Processes

Special Issue Information

Dear Colleagues,

This Special Issue collects selected communications presented at the 1st International Electronic Conference on Crystals, successfully held online 21–31 May, 2018, under the sponsorship of MDPI.

Most of the papers are related to the conference session “Interactions in Crystal Structures and Crystal Engineering”, accompanied by contributions on “Crystal Engineering”, “Nano- and Two-Dimensional Crystals”, and “Liquid Crystals”. The papers cover both experimental and theoretical/computational aspects.

We thank the participants of this highly-innovative conference, which did not require registration or traveling expenses, allowing researchers to disseminate knowledge and discuss with their peers. We shall treasure this experience in organizing the next conference in the series. We also thank the members of the scientific committee and the invaluable assistance by Crystals Editorial Office.

Prof. Dr. Alberto Girlando
Prof. Dr. Abel Moreno
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.

Published Papers (4 papers)

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Research

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Open AccessArticle Structural Chemistry of Halide including Thallides A8Tl11X1−n (A = K, Rb, Cs; X = Cl, Br; n = 0.1–0.9)
Crystals 2018, 8(8), 319; https://doi.org/10.3390/cryst8080319
Received: 23 July 2018 / Revised: 7 August 2018 / Accepted: 7 August 2018 / Published: 10 August 2018
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Abstract
A8Tl11 (A = alkali metal) compounds have been known since the investigations of Corbett et al. in 1995 and are still a matter of current discussions as the compound includes one extra electron referred to the charge of the Tl
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A8Tl11 (A = alkali metal) compounds have been known since the investigations of Corbett et al. in 1995 and are still a matter of current discussions as the compound includes one extra electron referred to the charge of the Tl117− cluster. Attempts to substitute this additional electron by incorporation of a halide atom succeeded in the preparation of single crystals for the lightest triel homologue of the group, Cs8Ga11Cl, and powder diffraction experiments for the heavier homologues also suggested the formation of analogous compounds. However, X-Ray single crystal studies on A8Tl11X to prove this substitution and to provide a deeper insight into the influence on the thallide substructure have not yet been performed, probably due to severe absorption combined with air and moisture sensitivity for this class of compounds. Here, we present single crystal X-Ray structure analyses of the new compounds Cs8Tl11Cl0.8, Cs8Tl11Br0.9, Cs5Rb3Tl11Cl0.5, Cs5.7K2.3Tl11Cl0.6 and K4Rb4Tl11Cl0.1. It is shown that a (partial) incorporation of halide can also be indirectly determined by examination of the Tl-Tl distances, thereby the newly introduced cdd/cdav ratio allows to evaluate the degree of distortion of Tl117− clusters. Full article
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Open AccessArticle Multiscale Simulation of Surface Defects Influence Nanoindentation by a Quasi-Continuum Method
Crystals 2018, 8(7), 291; https://doi.org/10.3390/cryst8070291
Received: 13 June 2018 / Revised: 11 July 2018 / Accepted: 12 July 2018 / Published: 14 July 2018
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Abstract
Microscopic properties of nanocrystal aluminum thin film have been investigated using the quasicontinuum method in order to study the influence of surface defects in nanoindentation. Various distances between the surface defect and indenter have been taken into account. The results show that as
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Microscopic properties of nanocrystal aluminum thin film have been investigated using the quasicontinuum method in order to study the influence of surface defects in nanoindentation. Various distances between the surface defect and indenter have been taken into account. The results show that as the distance between the pit and indenter increases, the nanohardness increases in a wave pattern associated with a cycle of three atoms, which is closely related to the crystal structure of periodic atoms arrangement on {1 1 1} atomic close-packed planes of face-centered cubic metal; when the adjacent distance between the pit and indenter is more than 16 atomic spacing, there is almost no effect on nanohardness. In addition, the theoretical formula for the necessary load for elastic-to-plastic transition of Al film has been modified with the initial surface defect size, which may contribute to the investigation of material property with surface defects. Full article
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Review

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Open AccessReview Nanomaterials in Liquid Crystals as Ion-Generating and Ion-Capturing Objects
Crystals 2018, 8(7), 264; https://doi.org/10.3390/cryst8070264
Received: 7 June 2018 / Revised: 22 June 2018 / Accepted: 22 June 2018 / Published: 26 June 2018
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Abstract
The majority of tunable liquid crystal devices are driven by electric fields. The performance of such devices can be altered by the presence of small amounts of ions in liquid crystals. Therefore, the understanding of possible sources of ions in liquid crystal materials
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The majority of tunable liquid crystal devices are driven by electric fields. The performance of such devices can be altered by the presence of small amounts of ions in liquid crystals. Therefore, the understanding of possible sources of ions in liquid crystal materials is very critical to a broad range of existing and future applications employing liquid crystals. Recently, nanomaterials in liquid crystals have emerged as a hot research topic, promising for its implementation in the design of wearable and tunable liquid crystal devices. An analysis of published results revealed that nanodopants in liquid crystals can act as either ion-capturing agents or ion-generating objects. In this paper, a recently developed model of contaminated nanomaterials in liquid crystals is analyzed. Nanoparticle-enabled ion capturing and ion generation regimes in liquid crystals are discussed within the framework of the proposed model. This model is in very good agreement with existing experimental results. Practical implications and future research directions are also discussed. Full article
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Other

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Open AccessConference Report Smeared Lattice Model as a Framework for Order to Disorder Transitions in 2D Systems
Crystals 2018, 8(7), 290; https://doi.org/10.3390/cryst8070290
Received: 15 June 2018 / Revised: 11 July 2018 / Accepted: 12 July 2018 / Published: 14 July 2018
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Abstract
Order to disorder transitions are important for two-dimensional (2D) objects such as oxide films with cellular porous structure, honeycomb, graphene, Bénard cells in liquid, and artificial systems consisting of colloid particles on a plane. For instance, solid films of porous alumina represent almost
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Order to disorder transitions are important for two-dimensional (2D) objects such as oxide films with cellular porous structure, honeycomb, graphene, Bénard cells in liquid, and artificial systems consisting of colloid particles on a plane. For instance, solid films of porous alumina represent almost regular crystalline structure. We show that in this case, the radial distribution function is well described by the smeared hexagonal lattice of the two-dimensional ideal crystal by inserting some amount of defects into the lattice.Another example is a system of hard disks in a plane, which illustrates order to disorder transitions. It is shown that the coincidence with the distribution function obtained by the solution of the Percus–Yevick equation is achieved by the smoothing of the square lattice and injecting the defects of the vacancy type into it. However, better approximation is reached when the lattice is a result of a mixture of the smoothed square and hexagonal lattices. Impurity of the hexagonal lattice is considerable at short distances. Dependencies of the lattice constants, smoothing widths, and contributions of the different type of the lattices on the filling parameter are found. The transition to order looks to be an increase of the hexagonal lattice fraction in the superposition of hexagonal and square lattices and a decrease of their smearing. Full article
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