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Crystals
Special Issues
Design and Synthesis of Functional Crystal Materials
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Design and Synthesis of Functional Crystal Materials

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: 30 June 2025 | Viewed by 1505

Special Issue Editor

Dr. Lili Li

E-Mail Website
Guest Editor
State Key Laboratory of Crystal Materials and Institute of Crystal Materials, Shandong University, Jinan 250100, China
Interests: crystal functional materials; piezoelectric stability; optical, magnetic, and piezoelectric properties; physical coupling effect

Special Issue Information

Dear Colleagues,

Functional crystal materials are crucial in contemporary science and technology across numerous high-tech fields, such as the conversion of various forms of energy, including light, electricity, magnetism, heat, and force. They serve as essential foundations for advancements in microelectronics, optics, lasers, remote sensing, communications, aerospace, and other cutting-edge technologies, positioning them at the forefront of new material science development. This Special Issue will focus on introducing various functional crystal structures and crystal synthesis and discussing their impact on related properties and applications. Research areas may include (but are not limited to) the following: (1) the exploration of novel functional crystals, such as piezoelectric crystals, semiconductor crystals, nonlinear optical crystals, and pyroelectric crystals; (2) the synthesis and preparation of functional crystals; and (3) the correlation between crystal structure and performance.

This Special Issue on “Design and Synthesis of Functional Crystal Materials” will collect, in a timely manner, the latest developments in crystal structure characterization, crystal synthesis, crystal properties, and applications. We invite you to share your discoveries and insights on functional crystals.

Dr. Lili Li
Guest Editor

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. 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 2100 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 structure
  • synthesis and preparation of functional crystals
  • applications of functional crystals
  • theoretical design
  • electronic structure and optical properties
  • piezoelectric, semiconductor, nonlinear optical, and thermoelectric materials

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

Published Papers (2 papers)

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Research

15 pages, 4885 KiB  
Article
Hydroxyperovskites: An Overlooked Class of Potential Functional Materials
by Mark D. Welch and Jens Najorka
Crystals 2025, 15(3), 251; https://doi.org/10.3390/cryst15030251 - 7 Mar 2025
Viewed by 466
Abstract
While there is enormous interest in studying oxide perovskites with stoichiometries based upon or derived from ABO3, including oxygen-deficient compositions and organometallics, other closely related topologies have been overlooked. Hydroxyperovskites are such a group. Their structures are perovskite-like octahedral frameworks [...] Read more.
While there is enormous interest in studying oxide perovskites with stoichiometries based upon or derived from ABO3, including oxygen-deficient compositions and organometallics, other closely related topologies have been overlooked. Hydroxyperovskites are such a group. Their structures are perovskite-like octahedral frameworks with vacant cavity A sites, and all oxygen atoms form hydroxyl groups. There are fifteen naturally occurring hydroxyperovskites and numerous synthetic analogues. There are two stoichiometries: BB′(OH)6 and B(OH)3. The former consist of alternating divalent and tetravalent cations (B = Mg, Ca, Mn2+, Fe2+, Co2+, Cu2+, Zn; B′ = Sn, Ge). B(OH)3 structures have only trivalent cations (Al, Fe3+, Ga). The properties and behavior of solid solutions in hydroxyperovskites are largely unexplored. This article summarizes our current knowledge of the crystallography and crystal chemistry of hydroxyperovskites and suggests productive areas of research in relation to their potential as functional materials. It should be evident that much of the findings remains to be discovered. Full article
(This article belongs to the Special Issue Design and Synthesis of Functional Crystal Materials)
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17 pages, 3945 KiB  
Article
Numerical Simulation Analysis of Laser Ultrasonic Detection of Defects in Silicon Carbide
by Yuan Yin, Jinbao Xia, Hongkun Nie, Bo Yao, Daofa Sun, Longnan Ma, Ruihang Li, Zihao Li and Baitao Zhang
Crystals 2025, 15(2), 125; https://doi.org/10.3390/cryst15020125 - 24 Jan 2025
Viewed by 827
Abstract
Silicon carbide (SiC) is widely used in power electronic devices and other fields, the defects of which can significantly impact its performance in device fabrication. Laser ultrasonic non-destructive testing (NDT) as a novel and effective approach can detect these defects in real time. [...] Read more.
Silicon carbide (SiC) is widely used in power electronic devices and other fields, the defects of which can significantly impact its performance in device fabrication. Laser ultrasonic non-destructive testing (NDT) as a novel and effective approach can detect these defects in real time. This study introduces a numerical model for the SiC NDT that elucidates the dynamic interactions between laser-induced ultrasonic waves and surface defects, and internal defects in SiC, respectively. Results show NDT is an effective way to locate the SiC defect and the ultrasonic waves’ vibration amplitude of detection points at defect edges increases by at least 16% compared to adjacent points, with a maximum of 43%. A comparative assessment between surface and internal defect vibration responses for acoustic is also made. For internal defects, the oscillation time of the acoustic wave at the detection point on the surface away from the edge of the defect at the excitation point exceeds that of surface defects by 100 ns, and the amplitude near the excitation point is more pronounced, reaching 1.44 nm, which is 4.2 times that of corresponding surface defects. Additionally, a linear relationship is observed between the arrival time of transmitted Rayleigh Waves (RSR) and internal defect length, with a correlation coefficient of 0.9878. Similarly, a linear relationship is established between the amplitude of reflected Rayleigh Waves (rR) and defect width, with a correlation coefficient of 0.9976, providing an effective way to quantify the inner defect. Furthermore, transient temperature profiles at distinct positions and transient acoustic fields and the relationship of acoustic vibration amplitude increasing with laser spot size under a fixed laser power density are also analyzed. This model provides a theoretical foundation for laser ultrasonic NDT setup and choice of micro-vibration detection device. Full article
(This article belongs to the Special Issue Design and Synthesis of Functional Crystal Materials)
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