Journal Description
Crystals
Crystals
is an international, peer-reviewed, open access journal on Crystallography published monthly online by MDPI. The Professional Committee of Key Materials and Technology for Electronic Components (PC-KMTEC) is affiliated with Crystals and its members receive discounts on the article processing charges.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), Inspec, CAPlus / SciFinder, and other databases.
- Journal Rank: JCR - Q2 (Crystallography) / CiteScore - Q2 (Condensed Matter Physics)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 10.8 days after submission; acceptance to publication is undertaken in 2.7 days (median values for papers published in this journal in the first half of 2024).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Impact Factor:
2.4 (2023);
5-Year Impact Factor:
2.4 (2023)
Latest Articles
Assessment of Classical Force-Fields for Graphene Mechanics
Crystals 2024, 14(11), 960; https://doi.org/10.3390/cryst14110960 (registering DOI) - 2 Nov 2024
Abstract
The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis’s costly and complex process significantly impairs researchers’
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The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis’s costly and complex process significantly impairs researchers’ endeavors to explore its properties and structure experimentally. Molecular dynamics simulation is a well-established and useful tool for investigating graphene’s atomic structure and dynamic behavior at the nanoscale without requiring expensive and complex experiments. The accuracy of the molecular dynamics simulation depends on the potential functions. This work assesses the performance of various potential functions available for graphene in mechanical properties prediction. The following two cases are considered: pristine graphene and pre-cracked graphene. The most popular fifteen potentials have been assessed. Our results suggest that diverse potentials are suitable for various applications. REBO and Tersoff potentials are the best for simulating monolayer pristine graphene, and the MEAM and the AIREBO-m potentials are recommended for those with crack defects because of their respective utilization of the electron density and inclusion of the long-range interaction. We recommend the AIREBO-m potential for a general case of classical molecular dynamics study. This work might help to guide the selection of potentials for graphene simulations and the development of further advanced interatomic potentials.
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(This article belongs to the Section Inorganic Crystalline Materials)
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Complex Coacervates: From Polyelectrolyte Solutions to Multifunctional Hydrogels for Bioinspired Crystallization
by
Dominik Gruber, Cristina Ruiz-Agudo, Ashit Rao, Simon Pasler, Helmut Cölfen and Elena V. Sturm
Crystals 2024, 14(11), 959; https://doi.org/10.3390/cryst14110959 (registering DOI) - 2 Nov 2024
Abstract
Hydrogels represent multifarious functional materials due to their diverse ranges of applicability and physicochemical properties. The complex coacervation of polyacrylate and calcium ions or polyamines with phosphates has been uncovered to be a fascinating approach to synthesizing of multifunctional physically crosslinked hydrogels. To
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Hydrogels represent multifarious functional materials due to their diverse ranges of applicability and physicochemical properties. The complex coacervation of polyacrylate and calcium ions or polyamines with phosphates has been uncovered to be a fascinating approach to synthesizing of multifunctional physically crosslinked hydrogels. To obtain this wide range of properties, the synthesis pathway is of great importance. For this purpose, we investigated the entire mechanism of calcium/polyacrylate, as well as phosphate/polyamine coacervation, starting from early dynamic ion complexation by the polymers, through the determination of the phase boundary and droplet formation, up to the growth and formation of thermodynamically stable macroscopic coacervate hydrogels. By varying the synthesis procedure, injectable hydrogels, as well as plastic coacervates, are presented, which cover a viscosity range of three orders of magnitude. Furthermore, the high calcium content of the calcium/polyacrylate coacervate (~19 wt.%) enables the usage of those coacervates as an ions reservoir for the formation of amorphous and crystalline calcium-containing salts like calcium carbonates and calcium phosphates. The exceptional properties of the coacervates obtained here, such as thermodynamic stability, viscosity/plasticity, resistance to acids, and adhesive strength, combined with the straightforward synthesis and the character of an ions reservoir, open a promising field of bioinspired composite materials for osteology and dentistry.
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(This article belongs to the Collection Topic Collection: Mineralogical Crystallography)
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Open AccessEditorial
Progress in the Applications of Photovoltaic Functional Crystals and Ceramics
by
Linghang Wang and Gang Xu
Crystals 2024, 14(11), 958; https://doi.org/10.3390/cryst14110958 (registering DOI) - 1 Nov 2024
Abstract
With the progression of mankind and the development of technology, great strides have been made regarding the application of inorganic crystalline materials in a number of fields such as high-energy and nuclear physics, environmental and safety inspection, the optoelectronics and communication fields, energy,
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With the progression of mankind and the development of technology, great strides have been made regarding the application of inorganic crystalline materials in a number of fields such as high-energy and nuclear physics, environmental and safety inspection, the optoelectronics and communication fields, energy, and aerospace engineering, particularly the industrialization of photovoltaic and detector materials, which has brought mankind’s knowledge of natural disciplines to an all-time high [...]
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(This article belongs to the Special Issue Photovoltaic Functional Crystals and Ceramics)
Open AccessArticle
Design and Application of a Lightweight Plate-Type Acoustic Metamaterial for Vehicle Interior Low-Frequency Noise Reduction
by
Yudong Wu, Wang Yan, Guang Wen, Yanyong He, Shiqi Deng and Weiping Ding
Crystals 2024, 14(11), 957; https://doi.org/10.3390/cryst14110957 (registering DOI) - 31 Oct 2024
Abstract
To reduce the low-frequency noise inside automobiles, a lightweight plate-type locally resonant acoustic metamaterial (LRAM) is proposed. The design method for the low-frequency bending wave bandgap of the LRAM panel was derived. Prototype LRAM panels were fabricated and tested, and the effectiveness of
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To reduce the low-frequency noise inside automobiles, a lightweight plate-type locally resonant acoustic metamaterial (LRAM) is proposed. The design method for the low-frequency bending wave bandgap of the LRAM panel was derived. Prototype LRAM panels were fabricated and tested, and the effectiveness of the bandgap design was verified by measuring the vibration transmission characteristics of the steel panels with the installed LRAM. Based on the bandgap design method, the influence of geometric and material parameters on the bandgap of the LRAM panel was investigated. The LRAM panel was installed on the inner side of the tailgate of a traditional SUV, which effectively reduced the low-frequency noise (around 34 Hz) during acceleration and constant-speed driving, improving the subjective perception of the low-frequency noise from “very unsatisfactory” to “basically satisfactory”. Furthermore, the noise reduction performance of the LRAM panel was compared with that of traditional damping panels. It was found that, with a similar installation area and lighter weight than the traditional damping panels, the LRAM panel still achieved significantly better low-frequency noise reduction, exhibiting the advantages of lightweight, superior low-frequency performance, designable bandgap and shape, and high environmental reliability, which suggests its great potential for low-frequency noise reduction in vehicles.
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(This article belongs to the Special Issue Research and Applications of Acoustic Metamaterials)
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Influence of Ionic Liquids on the Functionality of Optoelectronic Devices Employing CsPbBr3 Single Crystals
by
Faisal Alresheedi
Crystals 2024, 14(11), 956; https://doi.org/10.3390/cryst14110956 (registering DOI) - 31 Oct 2024
Abstract
Regulating the nucleation temperature and growth rates during inverse temperature crystallization (ITC) is vital for obtaining high-quality perovskite single crystals via this technique. Precise control over these parameters enables growing crystals optimized for various optoelectronic devices. In this study, it is demonstrated that
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Regulating the nucleation temperature and growth rates during inverse temperature crystallization (ITC) is vital for obtaining high-quality perovskite single crystals via this technique. Precise control over these parameters enables growing crystals optimized for various optoelectronic devices. In this study, it is demonstrated that incorporating a 1-butyl-3-methylimidazolium bromide (BMIB) ionic liquid into the precursor solution of cesium lead bromide (CsPbBr3) brings about a dual enhancement effect. This includes a reduction in nucleation temperature from 85 °C to 65 °C and a significant improvement in both optoelectronic characteristics and crystal properties. The CsPbBr3 single crystals grown using ITC with BMIB added (method (2)) demonstrate improved chemical and physical properties (crystallinity, lattice strain, nonradioactive recombination, and trap density) compared to CsPbBr3 single crystals produced through conventional 85 °C ITC alone (method (1)). The exceptional quality of CsPbBr3 single crystals produced with the inclusion of BMIB allowed for the development of a highly responsive optoelectronic device, demonstrating heightened sensitivity to green light. The findings of this investigation reveal that the growth of perovskite single crystals assisted by ionic liquid exerts a substantial impact on the characteristics of the crystals. This influence proves advantageous for the development of optoelectronic devices based on single crystals.
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(This article belongs to the Special Issue Crystal Structures and Applications of Perovskite Halides in Solar Cells)
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Open AccessArticle
Crystallographic Orientation of Grains Formed in the Laser Melt-Pool of (CoCuFeZr)17Sm2 Anisotropic Permanent Magnets
by
Felix Trauter, Ralf Loeffler, Gerhard Schneider and Dagmar Goll
Crystals 2024, 14(11), 955; https://doi.org/10.3390/cryst14110955 (registering DOI) - 31 Oct 2024
Abstract
Textured microstructures and anisotropic properties are key factors for the optimization of magnetic materials. Only for high texture grades can the remanence Jr and the maximum energy product (BH)max be maximized. In additive manufacturing such as laser powder bed fusion (PBF-LB),
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Textured microstructures and anisotropic properties are key factors for the optimization of magnetic materials. Only for high texture grades can the remanence Jr and the maximum energy product (BH)max be maximized. In additive manufacturing such as laser powder bed fusion (PBF-LB), methods to achieve texture have to be developed. In this work, anisotropic (CoCuFeZr)17Sm2 sintered magnets have been used as a substrate in experiments featuring single laser tracks to study the relationships between crystallographic orientation of the substrate grains and crystallographic orientation of grain growth in the melt-pool. The <0001> crystal direction (c-axis) of the substrate has been systematically varied with respect to the orientation of the laser scan track on the specimen surface. Crystallographic orientations of the melt-pool and the substrate have been analyzed using electron backscatter diffraction (EBSD). It is found that if the c-axis is oriented perpendicular to the temperature gradient in the melt-pool, grains grow with orientation similar to that of the substrate grain. If the c-axis and the temperature gradient are oriented in the same direction, the grains grow with high misorientation to the substrate. The highest anisotropy in the melt-pool is achieved when the substrate’s c-axis is oriented along the laser scan track. Under these conditions, 98.7% of the melt-pool area shows a misorientation <45° compared to the substrate orientation. The texture grade of the melt-pool area is comparable to that of the substrate magnet, at 91.8% and 92.2%, respectively.
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(This article belongs to the Special Issue Recent Advances in Microstructure and Properties of Metals and Alloys)
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Open AccessCommunication
Empirical Analysis of Stability of An+1BnO3n+1 Ruddlesden–Popper Phases Using Reciprocal n-Values
by
Sergei Vereshchagin and Vyacheslav Dudnikov
Crystals 2024, 14(11), 954; https://doi.org/10.3390/cryst14110954 (registering DOI) - 31 Oct 2024
Abstract
Layered An+1BnO3n+1 (n = 1…∞) Ruddlesden–Popper (RP) phases are a promising system for a variety of applications. Within the RP family, the thermodynamic properties of the phases are essentially additive with variation in the n value, but
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Layered An+1BnO3n+1 (n = 1…∞) Ruddlesden–Popper (RP) phases are a promising system for a variety of applications. Within the RP family, the thermodynamic properties of the phases are essentially additive with variation in the n value, but at present, there are no general approaches that would allow one to evaluate the individual stability of the RP phases and the possibility of their interconversion. The aim of this paper is to present a novel concept for performing a thermodynamic analysis of RP phases using the reciprocal values of the index n. We present an empirical equation ΔG1/n = ΔGP + B1/n + B2/n2, where ΔG1/n and ΔGP are the molar Gibbs energies of formation of the Ruddlesden–Popper (RP) phase (AO)1/nABO3 and the parent ABO3 perovskite, respectively, and n is a stoichiometry index of An+1BnO3n+1 RP phase. The correlation was validated using available thermodynamic data for the systems Sr-Ti-O, Ca-Ti-O, Sr-Zr-O, La-Ni-O, and La-Co-O. For all A-B combinations, the equation quantitatively describes the Gibbs energy of RP phase formation. Predicted values for the non-linear approximation lie within the experimental uncertainty in determining ΔG1/n. The proposed correlation was used to analyze the relative stability of the RP phases and to determine the feasibility of synthesizing new compounds.
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(This article belongs to the Section Materials for Energy Applications)
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Self-Organization of Micro- and Nanosystems in the Form of Patterns
by
Vyacheslav Perekrestov, Anna Kornyushchenko, Yuliia Kosminska, Maksym Kubakh and Gerhard Wilde
Crystals 2024, 14(11), 953; https://doi.org/10.3390/cryst14110953 (registering DOI) - 31 Oct 2024
Abstract
In this work, the peculiarities of self-organization of patterned micro- and nanosystems under near-equilibrium condensation conditions were consistently considered. The criteria for stationarity of near-equilibrium condensation were introduced, and interrelations between the condensate local growth kinetics and the corresponding local technological parameters were
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In this work, the peculiarities of self-organization of patterned micro- and nanosystems under near-equilibrium condensation conditions were consistently considered. The criteria for stationarity of near-equilibrium condensation were introduced, and interrelations between the condensate local growth kinetics and the corresponding local technological parameters were described. Dissipative self-organization of small supersaturations in physically and chemically active medium-condensate systems were compared. The effectiveness of the unification of dissipative self-organization of small supersaturations and conservative self-organization of patterned micro- and nanosystems formation was shown, which forms the basis of a new concept of complete self-organized systems.
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(This article belongs to the Section Inorganic Crystalline Materials)
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AlGaN-Based Ultraviolet PIN Photodetector Grown on Silicon Substrates Using SiN Nitridation Process and Step-Graded Buffers
by
Jian Li, Yan Maidebura, Yang Zhang, Gang Wu, Yanmei Su, Konstantin Zhuravlev and Xin Wei
Crystals 2024, 14(11), 952; https://doi.org/10.3390/cryst14110952 (registering DOI) - 31 Oct 2024
Abstract
The integration of aluminum gallium nitride (AlGaN) with silicon substrates attracts significant attention due to the superior UV sensitivity of AlGaN and the cost-effectiveness as well as mechanical robustness of silicon. A PIN ultraviolet photodetector with a peak detection wavelength of 274 nm
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The integration of aluminum gallium nitride (AlGaN) with silicon substrates attracts significant attention due to the superior UV sensitivity of AlGaN and the cost-effectiveness as well as mechanical robustness of silicon. A PIN ultraviolet photodetector with a peak detection wavelength of 274 nm is presented in this paper. By employing a SiN nucleation layer and a step-graded buffer, a high-quality AlGaN-based photodetector structure with a dislocation density of 2.4 × 109/cm2 is achieved. A double-temperature annealing technique is utilized to optimize the Ohmic contact of the n-type AlGaN. The fabricated UV photodetector attains a dark current of 0.12 nA at −1 V and a peak responsivity of 0.12 A/W.
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(This article belongs to the Special Issue Crystal Growth of III–V Semiconductors)
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Amorphous-like TiN Films as Barrier Layers for Copper
by
Shicheng Han, Shicheng Yang, Xiaohong Zeng, Ying Wu, Tong Liu, Hu Wang and Sunan Ding
Crystals 2024, 14(11), 951; https://doi.org/10.3390/cryst14110951 - 31 Oct 2024
Abstract
The titanium nitride (TiN) columnar structure results in a rapid diffusion of copper atoms into the substrate along a vertical path. In this paper, the TiN columnar growth process was modified, which resulted in the deposition of amorphous-like films. The amorphous-like TiN layer
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The titanium nitride (TiN) columnar structure results in a rapid diffusion of copper atoms into the substrate along a vertical path. In this paper, the TiN columnar growth process was modified, which resulted in the deposition of amorphous-like films. The amorphous-like TiN layer demonstrated a low resistivity of 75.3 μΩ·cm. For the test structure of Cu/TiN/SiO2, the Cu diffusion depth in the 3 nm TiN middle layer was only approximately 1 nm after annealing at 750 °C for 30 min. Excellent copper diffusion barrier due to high density and complex diffusion pathways. The results of this study suggest that conventional barrier materials can still be used in ultra-narrow copper interconnects.
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(This article belongs to the Section Crystal Engineering)
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The Influence of Deposition Temperature on the Microscopic Process of Diamond-like Carbon (DLC) Film Deposition on a 2024 Aluminum Alloy Surface
by
Li Yang, Tong Li, Baihui Shang, Lili Guo, Tong Zhang and Weina Han
Crystals 2024, 14(11), 950; https://doi.org/10.3390/cryst14110950 - 31 Oct 2024
Abstract
In this experiment, plasma-enhanced chemical vapor deposition technology was used to deposit diamond-like carbon thin films on the surface of a 2024 aluminum alloy. The effects of deposition temperature on the microstructure, carbon, silicon, and aluminum element distribution, and film substrate adhesion of
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In this experiment, plasma-enhanced chemical vapor deposition technology was used to deposit diamond-like carbon thin films on the surface of a 2024 aluminum alloy. The effects of deposition temperature on the microstructure, carbon, silicon, and aluminum element distribution, and film substrate adhesion of diamond-like carbon thin films were studied using field emission scanning electron microscopy, energy-dispersive spectroscopy, XRD, scratch gauge, and ultra-depth-of-field microscopy. The results showed that with the increase in deposition temperature, the thickness of DLC film decreased from 8.72 μm to 5.37 μm, and the film bonded well with the substrate. There is a clear transition layer containing silicon elements between the DLC film and the aluminum alloy substrate. The transition layer is a solid solution formed by aluminum and silicon elements, which increases the bonding strength between the film and substrate. C-Si and C-C exist in the form of covalent bonds and undergo orbital hybridization, making the DLC film more stable. When the deposition temperature exceeds the aging temperature of a 2024 aluminum alloy, it will affect the properties of the aluminum alloy substrate. Therefore, the deposition temperature should be below the aging temperature of the 2024 aluminum alloy for coating. At a deposition temperature of 100 °C, the maximum membrane substrate bonding force is 14.45 N. When a continuous sound signal appears and the friction coefficient is the same as that of the substrate, the film is completely damaged. From the super-depth map of the scratch morphology, it can be seen that, at a deposition temperature of 100 °C, a small amount of thin film detachment appears around the scratch.
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(This article belongs to the Section Crystalline Metals and Alloys)
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Surface Modification of Graphene Oxide and Its Strengthening and Toughening Mechanism for Alumina-Based Ceramic Materials
by
Yangyang Hu, Zhenzhen Feng, Yonghui Xie, Hongyang Wang, Qinglong Ji, Jiaoni Wang and Chonghai Xu
Crystals 2024, 14(11), 949; https://doi.org/10.3390/cryst14110949 - 31 Oct 2024
Abstract
This study investigated the effects of incorporating reduced-graphene-oxide-coated alumina (Al2O3–RGO) nanoparticles and unmodified graphene oxide (GO) onto the microstructure as well as the mechanical properties of Al2O3/TiB2 matrix ceramic materials. The microstructure observation revealed
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This study investigated the effects of incorporating reduced-graphene-oxide-coated alumina (Al2O3–RGO) nanoparticles and unmodified graphene oxide (GO) onto the microstructure as well as the mechanical properties of Al2O3/TiB2 matrix ceramic materials. The microstructure observation revealed that, compared with GO addition, the addition of Al2O3–RGO nanoparticles significantly improved RGO dispersion in the ceramic materials and reduced defects such as pores caused by graphene agglomeration. In addition, the uniformly dispersed RGO nanosheets were interwoven with each other to form a three-dimensional grid structure due to grain growth and the disappearance of pores during sintering, which increased the contact area and interface-bonding strength between the RGO and ceramic matrix. According to the results of microstructure observation and analysis, the good interfacial strength not only facilitated load transfer from the ceramic matrix to the RGO but also induced the fracture mechanism of the RGO, which consumes more fracture energy than the traditional toughening mechanism. The results of mechanical properties analysis showed that the hardness, flexural strength, and fracture toughness of the obtained ATB–RG3.0 ceramic material was measured at 19.52 GPa, 1063.52 MPa, and 9.16 MPa·m1/2, respectively. These values are 16.82%, 27.92%, and 26.87% higher than those of the ceramic material with 3.0 vol.% GO.
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(This article belongs to the Special Issue Advanced Technologies in Graphene-Based Materials (2nd Edition))
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Wear Behaviour of Graphene-Reinforced Ti-Cu Waste-Metal Friction Composites Fabricated with Spark Plasma Sintering
by
Mária Podobová, Viktor Puchý, Richard Sedlák, Dávid Medveď, Róbert Džunda and František Kromka
Crystals 2024, 14(11), 948; https://doi.org/10.3390/cryst14110948 - 31 Oct 2024
Abstract
In this study, we fabricated Ti-Cu-based friction composites containing waste-metal (Ti, CuZn, stainless steel (SSt), MgAl), Al2O3 due to improving properties and its good compatibility with copper and graphene nanoplatelets as reinforcement and lubricant component, using planetary ball mill and
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In this study, we fabricated Ti-Cu-based friction composites containing waste-metal (Ti, CuZn, stainless steel (SSt), MgAl), Al2O3 due to improving properties and its good compatibility with copper and graphene nanoplatelets as reinforcement and lubricant component, using planetary ball mill and technique based on Spark Plasma Sintering (SPS). Understanding the wear behaviour of such engineered friction composites is essential to improve their material design and safety, as these materials could have the potential for use in public and industrial transportation, such as high-speed rail trains and aircraft or cars. This is why our study is focused on wear behaviour during friction between function parts of devices. We investigated the composite materials designed by us in order to clarify their microstructural state and mechanical properties. Using different loading conditions, we determined the Coefficient of Friction (COF) using a ball-on-disc tribological test. We analysed the state of the samples after the mentioned test using a Scanning Electron Microscope (SEM), then Energy-Dispersive X-ray Spectroscopy (EDS), and confocal microscopy. Also, a comparative analysis of friction properties with previously studied materials was performed. The results showed that friction composites with different compositions, despite the same conditions of their compaction during sintering, can be defined by different wear characteristics. Our study can potentially have a significant contribution to the understanding of wear mechanisms of Ti-Cu-based composites with incorporated metal-waste and to improving their material design and performance. Also, it can give us information about the possibilities of reusing metal-waste from different machining operations.
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(This article belongs to the Special Issue Processing, Structure and Properties of Metal Matrix Composites)
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Influence of Various Binder Jet Printers on the Additive Manufacturing of Hardmetals
by
Christian Berger, Johannes Pötschke, Uwe Scheithauer and Alexander Michaelis
Crystals 2024, 14(11), 947; https://doi.org/10.3390/cryst14110947 - 31 Oct 2024
Abstract
Binder Jetting (BJT), a powder-based additive manufacturing technology, has been shown to be a fast and reproducible green shaping process for many different metals. Due to its high productivity and versatility in material processing, BJT is gaining increasing importance in the manufacturing sector.
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Binder Jetting (BJT), a powder-based additive manufacturing technology, has been shown to be a fast and reproducible green shaping process for many different metals. Due to its high productivity and versatility in material processing, BJT is gaining increasing importance in the manufacturing sector. It can also be used for the production of WC-Co hardmetals, a primary ceramic-based composite often used for tools and wear parts. Five different BJT printers from four different manufacturers were evaluated to assess their effectiveness and feasibility in producing hardmetals based on the same WC-12 wt.% Co starting powders. The analysis focused on comparing the properties of the resulting hardmetals, as well as evaluating the printing performance. The results show that all tested BJT printers are fundamentally well suited for producing green hardmetal parts, which can achieve full density after sintering. This work highlights the potential of BJT technology in hardmetal manufacturing for tool production.
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(This article belongs to the Section Crystalline Metals and Alloys)
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Influence of Heat Treatment on the Microstructure and Tensile Properties of a Novel Nitrogenous Nickel-Based Deposited Metal
by
Yingdi Wang, Zhiyong Dai and Yunhai Su
Crystals 2024, 14(11), 946; https://doi.org/10.3390/cryst14110946 - 30 Oct 2024
Abstract
Nitrogenous nickel-based deposited metal was prepared by using the gas metal arc welding (GMAW) method, and it was further subjected to solid-solution and aging heat treatment. The influence of different solid-solution temperatures on the microstructure of the deposited metal was studied, and the
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Nitrogenous nickel-based deposited metal was prepared by using the gas metal arc welding (GMAW) method, and it was further subjected to solid-solution and aging heat treatment. The influence of different solid-solution temperatures on the microstructure of the deposited metal was studied, and the complete heat treatment system for the nitrogenous nickel-based deposited metal was ultimately determined. The microstructure, mechanical properties, and deformation mechanism of the nitrogenous nickel-based deposited metal in two states (as-prepared state and complete heat-treated state) were finally investigated. The results show that the microstructure of the deposited metal mainly consisted of epitaxially grown columnar grains with large grains. Petal-like Laves phases formed between the dendrites. The main deformation mechanism was the unit dislocation a/2<110> cut precipitation phase. After a complete heat treatment, all the Laves phases were re-melted, and nanoscale M(C,N) phases precipitated in the grains, while M23C6 phases formed at the grain boundaries. The samples showed higher yield and ultimate tensile strengths than those of the as-prepared state metal, but with reduced ductility. The deformation mechanism involved not only a/2<110> matrix dislocations cutting the precipitated phase, but also two a/6<121> Shockley incomplete dislocations, together cutting the precipitated phase to form a stacking layer dislocation.
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(This article belongs to the Section Crystalline Metals and Alloys)
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Surface Modification and Tribological Performance of Calcium Phosphate Coatings with TiO2 Nanoparticles on VT1-0 Titanium by Micro-Arc Oxidation
by
Bauyrzhan Rakhadilov, Ainur Zhassulan, Kuanysh Ormanbekov, Aibek Shynarbek, Daryn Baizhan and Tamara Aldabergenova
Crystals 2024, 14(11), 945; https://doi.org/10.3390/cryst14110945 - 30 Oct 2024
Abstract
The continuous development of biomedical materials necessitates exploring new solutions to enhance implant performance. This study investigates the impact of titanium dioxide nanoparticles on calcium phosphate coatings applied to VT1-0 titanium substrates using micro-arc oxidation. Titanium, widely recognized for its excellent mechanical properties
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The continuous development of biomedical materials necessitates exploring new solutions to enhance implant performance. This study investigates the impact of titanium dioxide nanoparticles on calcium phosphate coatings applied to VT1-0 titanium substrates using micro-arc oxidation. Titanium, widely recognized for its excellent mechanical properties and compatibility, serves as an ideal substrate for implants. The coatings were synthesized in an electrolyte with varying titanium dioxide concentrations to examine their influence on surface morphology, wettability, roughness, hardness, and tribological characteristics. Characterization techniques, such as scanning electron microscopy, X-ray diffraction, and profilometry, were employed to analyze the coatings’ structural and mechanical properties. The results demonstrate that increasing titanium dioxide concentrations leads to enhanced uniformity, reduced pore sizes, and higher hardness. Furthermore, the coatings showed improved wear resistance and reductions in friction coefficients at optimal nanoparticle levels. The inclusion of titanium dioxide significantly enhances the mechanical and tribological performance of the calcium phosphate coatings, making them suitable for biomedical applications, especially in implants requiring long-term durability and enhanced compatibility.
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(This article belongs to the Topic Microstructure and Properties in Metals and Alloys, 3rd Volume)
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A New Heterometallic Silver/Cadmium Thiocyanate Directed by Benzyl Viologen Possessing Photocurrent Response and Photocatalytic Degradation on Rhodamine B in Artificial Seawater
by
Xueqiang Zhuang, Xihe Huang, Haohong Li, Tianjin Lin and Yali Gao
Crystals 2024, 14(11), 944; https://doi.org/10.3390/cryst14110944 - 30 Oct 2024
Abstract
The search for new heterometallic metal pseudohalides will be significant for the development of novel functional materials. In this work, a new silver/cadmium heterometallic thiocyanate templated by benzyl viologen has been synthesized and structurally determined, i.e., {(BV)[Ag2Cd(SCN)6]}n (BV
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The search for new heterometallic metal pseudohalides will be significant for the development of novel functional materials. In this work, a new silver/cadmium heterometallic thiocyanate templated by benzyl viologen has been synthesized and structurally determined, i.e., {(BV)[Ag2Cd(SCN)6]}n (BV2+ = benzyl viologen). The interesting 1-D double chain [Ag2Cd(SCN)6]n2n− was constructed from the CdN6 octahedron and Ag2SCN6 dimers via μ2-SCN and μ3-S,S N SCN bridge, in which the Ag···Ag interaction can be found. Inter-molecular C-H···S/N hydrogen bonds between BV2+ cations and [Ag2Cd(SCN)6]n2n− chains contribute to the formation of a stable 3-D network. The short S···N distance implies the strong charge transfer (CT) interactions between the electron-rich silver/cadmium thiocyanate donor and BV2+ acceptor. This hybrid can exhibit a photo-generated current performance with an intensity of 1.75 × 10−8 A. Interestingly, this hybrid can present good photocatalytic degradation performance on rhodamine B in artificial seawater with a degradation ratio of 86.5% in 240 min. This work provides a new catalyst way for the organic dye-type ocean pollutant treatments.
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(This article belongs to the Topic Microstructure and Properties in Metals and Alloys, 3rd Volume)
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A Fluorescence Sensor Based on Biphenolic Backbone for Metal Ion Detection: Synthesis and Crystal Structure
by
Kanokporn Chantaniyomporn, Kiratikarn Charoensuk, Tanwawan Duangthongyou, Kittipong Chainok and Boontana Wannalerse
Crystals 2024, 14(11), 943; https://doi.org/10.3390/cryst14110943 - 30 Oct 2024
Abstract
2′-(hexyloxy)-[1,1′-biphenyl]-2-yl 5-(dimethylamino)naphthalene-1-sulfonate (KC1) was synthesized by using biphenol and dansyl chloride as starting materials. The KC1 was characterized via single X-ray diffraction, FTIR, HRMS and 1H and 13C-NMR. The KC1 indicates triclinic as P1 in the space group type. From the
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2′-(hexyloxy)-[1,1′-biphenyl]-2-yl 5-(dimethylamino)naphthalene-1-sulfonate (KC1) was synthesized by using biphenol and dansyl chloride as starting materials. The KC1 was characterized via single X-ray diffraction, FTIR, HRMS and 1H and 13C-NMR. The KC1 indicates triclinic as P1 in the space group type. From the KC1, the biphenolic backbone structure is twisted at an angle of 54.48° due to connecting the dansyl unit and hexyl moiety. Upon the addition of the Fe3+ ion to the KC1 solution, the fluorescence emission at 585 nm of KC1 was quenched due to complexation between KC1 and the Fe3+ ion. The complexation ratio of KC1 and Fe3+ was determined to be a 1:1 formation via Job’s analysis. The Stern–Volmer constant (Ksv) calculated was 21,203 M−1 for the KC1 and the Fe3+ ion complex.
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(This article belongs to the Section Inorganic Crystalline Materials)
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Open AccessArticle
Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications
by
Donghoon Kim, Soyeon Gwon, Kyeongsoon Park and Eui-Chan Jeon
Crystals 2024, 14(11), 942; https://doi.org/10.3390/cryst14110942 - 30 Oct 2024
Abstract
A series of Sr1−xDyxTi1−yNbyO3−δ (0.05 ≤ x, y ≤ 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N2 + 5% H2) reducing
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A series of Sr1−xDyxTi1−yNbyO3−δ (0.05 ≤ x, y ≤ 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N2 + 5% H2) reducing atmosphere. We studied the crystal structure and optical properties of Sr1−xDyxTi1−yNbyO3−δ using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV−VIS−NIR) spectroscopy. The sintered Sr1−xDyxTi1−yNbyO3−δ had a tetragonal structure (I4/mcm space group). In the sintered samples, Ti ions existed as a mixture of Ti3+ and Ti4+, and Nb ions existed as a mixture of Nb4+ and Nb5+. The band-gap energies decreased with increasing Dy/Nb concentrations. The incorporation of Ti and Nb ions, the formation of both Ti3+ and Nb4+ ions, and the reduction in band-gap energies are likely highly effective for increasing the electron concentration and the corresponding electrical conductivity. Sr1−xDyxTi1−yNbyO3−δ with high electrical conductivity is suitable for energy and electronics applications.
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(This article belongs to the Special Issue Precision and Ultra-Precision Machining for Ceramics and Composite Materials)
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Open AccessArticle
Structural, Morphological, and Optical Properties of Nano- and Micro-Structures of ZnO Obtained by the Vapor–Solid Method at Atmospheric Pressure and Photocatalytic Activity
by
Carlos Bueno, Adan Luna, Gregorio Flores, Héctor Juárez, Mauricio Pacio, René Pérez, Javier Flores-Méndez, David Maestre and Raúl Cortés-Maldonado
Crystals 2024, 14(11), 941; https://doi.org/10.3390/cryst14110941 - 30 Oct 2024
Abstract
Micro- and nano-structures of ZnO were synthesized by the vapor–solid method at 600, 700, and 800 °C in atmospheres of Ar and air, at atmospheric pressure. The structural characterization XRD shows that the nano-structures synthesized in air atmosphere at 600 °C, while diffraction
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Micro- and nano-structures of ZnO were synthesized by the vapor–solid method at 600, 700, and 800 °C in atmospheres of Ar and air, at atmospheric pressure. The structural characterization XRD shows that the nano-structures synthesized in air atmosphere at 600 °C, while diffraction peaks were found due to Zn because the presence of metallic Zn remains on the surface of the pellet. SEM images show that the morphologies range from nano-wires to micro-tubes. When cathodoluminescence is measured in micro-tubes, there is a shift of the near-band edge of the ZnO toward red; this is due to structural defects in the ZnO network. This result is corroborated with panchromatic CL measurements, which exhibit a difference in brightness between the micro-tubes. Furthermore, EDS measurements show an atomic quantity ratio of Zn:O that differs from the stoichiometric composition in the micro-tubes. The photocatalytic activity of three types of structures—nano-wires, micro-tubes, and micro-rods under UV irradiation using methylene blue as a model pollutant—were evaluated. The best response was obtained for nanowires, not only because they have a larger surface area but also because of the present defects.
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(This article belongs to the Special Issue Advances in Crystal Growth: Pioneering Materials for Tomorrow's Technologies)
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