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Crystals, Volume 16, Issue 3

2026 March - 62 articles

Cover Story: Phenothiazine is a heteroaromatic electron donor with broad applications ranging from materials science to pharmaceuticals. Central to its function in chemical and biological systems is its ability to engage in diverse noncovalent interactions, including halogen and π-stacked charge-transfer bonding. This article combines X-ray crystallography and DFT calculations to examine complexes of phenothiazine with halogen-bond donors, π-acceptors, and multifunctional partners. The results reveal a clear preference for π-stacking over halogen bonding, driven primarily by stronger dispersion interactions, and provide insight into the hierarchy and origin of intermolecular interactions in phenothiazine-based systems. View this paper
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Articles (62)

  • Article
  • Open Access
583 Views
16 Pages

23 March 2026

Isosymmetric phase transitions driven by subtle hydrogen-bond rearrangements remain challenging for periodic density functional theory (DFT), particularly when energy differences between polymorphs are small. Resorcinol represents an interesting case...

  • Article
  • Open Access
528 Views
12 Pages

23 March 2026

Microcline is an important rock-forming mineral in the Earth’s crust, and characterizing its structural behavior under compression is essential for understanding the high-pressure response of feldspar minerals under geological conditions. In th...

  • Article
  • Open Access
599 Views
14 Pages

Mechanochemical Evolution of Ni50Ti30Zr20 Alloy During High-Energy Ball Milling

  • Thobani Paul Shangase,
  • Maria Ntsoaki Mathabathe and
  • Charles Witness Siyasiya

20 March 2026

The fabrication of NiTiZr alloys by solid-state routes remains challenging due to limited atomic diffusion and the high reactivity of Ti and Zr. Mechanical alloying offers a potential pathway for synthesising such systems; however, complete alloy for...

  • Article
  • Open Access
437 Views
14 Pages

Preparation of Polymerizable Mechanochromic Gelator

  • Mizuho Kondo,
  • Tsuyoshi Iida,
  • Sho Iida and
  • Nobuhiro Kawatsuki

20 March 2026

Mechanochromism is a phenomenon in which mechanical stimuli change the optical properties of a material, such as its color and emission properties. Various materials exhibiting this behavior have been intensively studied. Mechanochromic materials tha...

  • Article
  • Open Access
869 Views
14 Pages

20 March 2026

Elastocaloric cooling, which leverages stress-induced phase transformation in shape memory materials, represents a sustainable and energy-efficient alternative to conventional vapor-compression cooling systems. Central to optimizing these materials i...

  • Review
  • Open Access
1 Citations
863 Views
27 Pages

Design- and Optimization-Oriented Composition and Morphology Engineering for MOF-Derived Microwave Absorbers

  • Qixue Xu,
  • Yuanrui Qu,
  • Xue Zhu,
  • Cheng Xiang,
  • Mingli Huang,
  • Hongmei Li,
  • Linlin Ning and
  • Jun Jia

19 March 2026

In recent decades, the requirement for materials with excellent electromagnetic wave (EMW) absorption properties has been steadily expanding. Developing and designing multifunctional hybrid absorbers featuring diverse components and synergistic loss...

  • Article
  • Open Access
416 Views
19 Pages

Load Separation Criterion for Ductile Fracture Characterization of Thin Aluminum Sheets

  • Mohammed Y. Abdellah,
  • Fawaz M. Abdullah,
  • Abdulrahman M. Al-Ahmari and
  • Mohamed K. Hassan

19 March 2026

The characterization of ductile fracture in thin metallic sheets is challenging due to extensive plastic deformation and stable crack growth under plane-stress conditions. This study investigates the applicability of the load separation criterion as...

  • Article
  • Open Access
838 Views
21 Pages

19 March 2026

Copper-based hybrid metal matrix composites reinforced with graphene and zinc were developed to achieve a balanced combination of mechanical strength, corrosion resistance, wear performance, and electrical conductivity. In this study, Cu matrix compo...

  • Article
  • Open Access
542 Views
14 Pages

Controlled Growth of Large-Area Graphite Single Crystals at Atmospheric Pressure and High Temperature from a Metal Flux

  • Thomas Poirier,
  • Dylan Evans,
  • Ishika Thakur,
  • Morgen L. Smith,
  • Placidus B. Amama,
  • Gaihua Ye,
  • Rui He and
  • James H. Edgar

18 March 2026

In this study, the growth of high-quality graphite single crystals from a molten metal flux at atmospheric pressure was optimized. The crystals were precipitated from a saturated iron–carbon solution by slowly cooling (4 °C/h) from a maximu...

  • Article
  • Open Access
700 Views
13 Pages

18 March 2026

We report the synthesis, spectroscopic characterization, and single-crystal X-ray structures of 5-methyl-3-phenylbenzo[e][1,2,4]triazine (I) and its precursor N′-(3-methyl-2-nitrophenyl)benzohydrazide (IV). Compound IV was obtained by nucleophi...

  • Article
  • Open Access
1 Citations
548 Views
16 Pages

18 March 2026

The objective of this work was to investigate the effect of a special activating component, under the ZB-3 brand, on the welding and technological properties of a welding electrode when incorporated into the coating of a rutile welding electrode. Pul...

  • Article
  • Open Access
703 Views
23 Pages

17 March 2026

The valorisation of significant quantities of wood biomass ash (WBA) in the production of building and construction materials is a sustainable approach to waste management. Due to their low chemical reactivity, the challenge for WBA-based alkali-acti...

  • Article
  • Open Access
584 Views
14 Pages

17 March 2026

Serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) enables the determination of room-temperature structures of biological macromolecules without radiation damage. The accuracy of detector geometry parameters, including...

  • Article
  • Open Access
540 Views
16 Pages

16 March 2026

To investigate the effect of cooling rate on the phase transformation behavior and mechanical properties of 9Ni steel, a 7 mm thick industrial 9Ni steel plate was selected as the research object in this study. The JMatPro software was employed to sim...

  • Article
  • Open Access
1,066 Views
11 Pages

15 March 2026

A modular synthetic route has been developed to prepare a new series of cationic ruthenium(II) complexes with electron-withdrawing 1,2-diacylcyclopentadienyl ligands. The 2-acyl-6-hydroxyfulvenes were synthesized from cyclopentadienide and acyl chlor...

  • Article
  • Open Access
507 Views
20 Pages

Formability of AA7021-T4 Sheet Alloy Under Changing Strain Path Conditions: Experiments and Crystal Plasticity Modeling

  • Md. Zahidul Sarkar,
  • Joshua Lim,
  • Sarah Sanderson,
  • David T. Fullwood,
  • Marko Knecevic and
  • Michael P. Miles

15 March 2026

The formability of AA7021-T4 sheets under changing strain paths was investigated via a novel crystal plasticity model and associated experimentation. The motivation was to advance simulation tools for process design of limited-ductility 7xxx alloys,...

  • Article
  • Open Access
3 Citations
892 Views
13 Pages

High-Temperature Challenges: Electrochemical Investigations into Molten Salt Corrosion Mechanisms

  • Fuzhen Yu,
  • John R. Nicholls,
  • Adrianus Indrat Aria and
  • Adnan U. Syed

15 March 2026

Thermal energy storage (TES) systems are widely employed in concentrated solar power (CSP) applications as a means of storing and dispatching energy. Typical thermal fluids used in TES systems include molten salts, such as solar salt (a KNO3–Na...

  • Article
  • Open Access
601 Views
11 Pages

Large-Size Barium Nitrate Crystal Growth and Large-Energy, High-Efficiency Raman Frequency Conversion to Yellow–Orange Waveband

  • Xiaojing Lin,
  • Hongkai Ren,
  • Pingzhang Yu,
  • Guowei Liu,
  • Zhengping Wang,
  • Xun Sun and
  • Xinguang Xu

13 March 2026

Stimulated Raman scattering (SRS) with Raman crystals is widely recognized as an effective technical approach for achieving high-efficiency lasers at specific wavelengths. However, due to crystal size limitations, it is challenging to generate large-...

  • Article
  • Open Access
885 Views
21 Pages

Effect of Sulfur on Hot Corrosion Behavior of Nickel-Based Superalloys at 900 °C

  • Dongxing Yue,
  • Wenhao Feng,
  • Yi Shen,
  • Qian Gao,
  • Ruijuan Pan,
  • Xiaolong Su,
  • Xiaoyong Zhang and
  • Jianxiu Chang

13 March 2026

Nickel-based superalloys are extensively used in fabricating high-temperature gas turbine components, owing to their superior high-temperature strength, excellent structural stability, and remarkable hot corrosion resistance. The influence of impurit...

  • Article
  • Open Access
1 Citations
645 Views
15 Pages

13 March 2026

We present a modular building block strategy for synthesizing phosphonated polyaromatic systems as an alternative to the conventional late-stage phosphonation of prefabricated aromatic scaffolds, which often requires harsh conditions and has limited...

  • Article
  • Open Access
710 Views
10 Pages

11 March 2026

Additive manufacturing (AM) of Ti-6Al-4V alloy is widely used in aerospace and medical fields due to its excellent strength and corrosion resistance. However, the microstructural heterogeneity induced by the AM process often results in fatigue proper...

  • Article
  • Open Access
638 Views
9 Pages

11 March 2026

The solid-state transformation theory has been used to describe the formation of CuO nanowires during the oxidation of Cu metal in air. In order to fill the gaps of the nucleation mechanism of CuO nanowires, a quantitative model has been founded base...

  • Article
  • Open Access
726 Views
9 Pages

High-Quality (0001) α-Ga2O3 Film Grown by Mist Chemical Vapor Deposition on (0001) α-Cr2O3 Template

  • Kotono Yamada,
  • Shiyu Xiao,
  • Kazuto Murakami,
  • Ryuma Iida,
  • Morimichi Watanabe,
  • Takahiro Tomita and
  • Tomohiro Yamaguchi

11 March 2026

A (0001) α-Ga2O3 film was grown by the mist chemical vapor deposition method on a (0001) α-Cr2O3 template (100 μm thick α-Cr2O3 layer formed on an α-Al2O3 substrate). Benefiting from the small a-axis lattice mismatch betwee...

  • Article
  • Open Access
1 Citations
653 Views
14 Pages

Effect of Fe Content on the Microstructure and Properties of 5083 Aluminum Alloy

  • Jun Cao,
  • Wenjia Zhao,
  • Jiaxing Li,
  • Hongqun Tang,
  • Xu Zheng,
  • Kezhun He,
  • Qizhong Zhao,
  • Hongchi Yang,
  • Xianye Lu and
  • Chunhua Wei
  • + 1 author

11 March 2026

To address the challenge of controlling Fe impurity content during the recycling of aluminum alloys, this study utilized commercial 5083 aluminum alloy as a matrix to prepare alloy samples with four different Fe contents via smelting. The effects of...

  • Article
  • Open Access
487 Views
10 Pages

11 March 2026

Photoluminescence (PL) imaging techniques combined with a minority carrier lifetime measurement system were utilized to investigate the effects of heating temperature on the interstitial iron (Fei) concentration, the recombination activity of structu...

  • Article
  • Open Access
569 Views
11 Pages

Effect of Lapping Parameters on Material Removal Rate and Surface Roughness of GaN (0001) Plane

  • Hao Zhou,
  • Yongliang Shao,
  • Baoguo Zhang,
  • Haixiao Hu,
  • Yongzhong Wu and
  • Xiaopeng Hao

11 March 2026

As a critical pretreatment process for chemical and mechanical polishing (CMP), the lapping roughness of gallium nitride (GaN) crystals directly influences the outcome of subsequent polishing and the reliability of final devices. This study systemati...

  • Article
  • Open Access
1,732 Views
16 Pages

Theoretical and Experimental Exploration of Au-Pt Anode for Efficient Ascorbate Oxidation in Sustainable Fuel Cells

  • Mostafizur Rahaman,
  • Mohebul Ahsan,
  • Md. Fahamidul Islam,
  • Md. Asaduzzaman,
  • Kazi Hamidur Rashid,
  • Mohammad Afsar Uddin and
  • Mohammad A. Hasnat

11 March 2026

The development of efficient and non-toxic fuels for direct liquid fuel cells has highlighted ascorbic acid (AA) as a sustainable energy source. This study presents a combined theoretical and experimental investigation of ascorbate oxidation on an Au...

  • Article
  • Open Access
457 Views
11 Pages

Research on the Corrosion Behavior of Zn-2Al Filler Metals

  • Yue Zhao,
  • Xuewen Wang,
  • Shirui Guo,
  • Lujun Cui,
  • Yinghao Cui,
  • Yuanxun Shen,
  • Quanbin Lu,
  • Xiaolei Li and
  • Yongqian Chen

10 March 2026

The performance of flux-cored Zn-Al filler metal is susceptible to corrosion-induced degradation, thereby impairing its brazability. In this study, flux-cored Zn-2Al filler metals are prepared, and the salt spray test is subsequently carried out on t...

  • Article
  • Open Access
1 Citations
614 Views
20 Pages

10 March 2026

This study systematically investigated the static recrystallization behavior and microstructural evolution of cold-rolled Ti-2Al-2.5Zr alloy tubes subjected to isothermal annealing at 650–800 °C. Electron backscatter diffraction (EBSD), opt...

  • Article
  • Open Access
675 Views
24 Pages

10 March 2026

The mechanical behavior of metallic core–shell nanoparticles is critical for their use as reinforcement particles and additive manufacturing feedstocks, yet their deformation mechanisms remain incompletely understood. This study employs molecul...

  • Article
  • Open Access
1 Citations
792 Views
20 Pages

Cobalt Coordination Networks Based on the Linker (Phenazine-5,10-diyl)di- and Tetrabenzoate

  • Annette Vollrath,
  • Xiang Liu,
  • Nikolas Jansen,
  • Philipp Seiffert,
  • David Geller and
  • Christoph Janiak

10 March 2026

The crystal structures of the cobalt(II) metal–organic frameworks or coordination networks of [Co(pdb)(DMF)] and [Co2(pdi)(DMF)3]·2(DMF)·H2O (H2pdb = 3,3′-(phenazine-5,10-diyl)dibenzoic acid; H4pdi = 5,5′-(phenazine-5,...

  • Article
  • Open Access
549 Views
16 Pages

9 March 2026

The superconducting transition temperature of CaC6 is investigated within the Roeser–Huber (RH) formalism using both rhombohedral and hexagonal crystallographic representations. While these two descriptions are crystallographically equivalent,...

  • Article
  • Open Access
1 Citations
625 Views
16 Pages

9 March 2026

This paper examines the use of metallurgical process waste in welding electrode coatings and their impact on the quality and properties of welded joints in carbon steels. The results demonstrate that the use of metallurgical process waste in slag coa...

  • Article
  • Open Access
704 Views
13 Pages

Microstructure and Mechanical Properties of ZM6 Cast Magnesium Alloy with Through-Hole Defects Repaired by Ultrasonic-Assisted TIG Welding

  • Faming Shen,
  • Zhien Chen,
  • Ming Che,
  • Zhaoxiang Chang,
  • Xin Qiao,
  • Yongjun Li,
  • Guihua Li,
  • Mingyue Zhao,
  • Yunhao Xia and
  • Sanbao Lin

9 March 2026

This study addresses the challenge of through-hole defects in ZM6 cast magnesium alloy components by proposing an innovative repair strategy using ultrasonic-assisted Tungsten Inert Gas (U-TIG) welding. The microstructure and mechanical properties of...

  • Article
  • Open Access
1 Citations
441 Views
14 Pages

9 March 2026

Chiral and racemic forms of a pyridyl ligand (R-L and rac-L, respectively), containing urea groups at their core and synthesised by the condensation of 3-aminopyridine and α-methylbenzylisocyante, were incorporated into silver complexes. The re...

  • Editorial
  • Open Access
650 Views
7 Pages

Synopsis of Special Issue on Superconductors and Magnetic Materials

  • António J. Arsénio Costa,
  • João F. P. Fernandes and
  • Elkin Rodriguez

9 March 2026

This editorial consists of a synopsis of the research in the Special Issue on “Superconductors and Magnetic Materials”, specifying the studies and highlighting main results and conclusions. This collection of research (1) demonstrates the...

  • Article
  • Open Access
780 Views
18 Pages

Influences of Polishing Slurry Components on Material Removal and Surface Morphology of 4H-SiC C-Face Based on Fenton Reaction CMP

  • Ying Wei,
  • Ruhao Meng,
  • Yongqi Huang,
  • Guoyan Huo,
  • Haitao Wu,
  • Jiapeng Chen,
  • Guizhong Guo,
  • Yanan Peng,
  • Nannan Zhu and
  • Jianxiu Su

6 March 2026

This study systematically investigates the effects of polishing slurry components on the material removal rate (MRR) and surface morphology of the C-face of 4H-SiC substrates during chemical mechanical polishing (CMP) based on the Fenton reaction. By...

  • Article
  • Open Access
783 Views
19 Pages

Multiferroic Properties of Rare-Earth-Doped VOCl2 Monolayers: A First-Principles Study

  • A. P. Aslla Quispe,
  • L. C. Huamani Aslla,
  • B. Barzola Moscoso,
  • P. H. Rivera and
  • J. D. S. Guerra

6 March 2026

The structural and electronic properties of the rare-earth-modified VOCl2 monolayer (V1−xXxOCl2, where X = Nd, Sm and Eu) are explored, by using the density functional theory calculations. In particular, the influence of the rare-earth (X) conc...

  • Article
  • Open Access
1 Citations
784 Views
15 Pages

Halogen Bonding vs. π-Stacked (Charge-Transfer) Interaction of Phenothiazine

  • Sarah Glunt,
  • Md Mahiuddin Sarker,
  • Kiran Avinash,
  • Matthias Zeller and
  • Sergiy V. Rosokha

5 March 2026

Phenothiazine is a heteroaromatic molecule capable of various noncovalent interactions, including halogen bonding and π-stacked association. Despite its broad use in functional materials and pharmaceutical ingredients, a systematic comparison of t...

  • Article
  • Open Access
1,414 Views
14 Pages

Ultra-Strong High-Temperature Mechanical Properties of an Ultrafine-Grained Eutectic Al-Si Alloy by Mechanical Alloying and Press Forming

  • Lin Zhang,
  • Chang Xu,
  • Zhongkan Ren,
  • Jingtao Liu,
  • Junchen Zhang,
  • Junfeng Zhang,
  • Xu Wu,
  • Pengfei Ji,
  • Youjian Zhang and
  • Zhenlin Yang
  • + 3 authors

5 March 2026

A high strength Al-12Si has been prepared through mechanical alloying and press forming without any additional alloy components. The alloy exhibited a high tensile strength of 458 MPa at room temperature and retained excellent tensile properties at e...

  • Article
  • Open Access
708 Views
27 Pages

Microfluidic Fabrication of TiO2–Hydrogel Photocatalytic Composites for Water Treatment

  • Sergio J. Peñas-Núñez,
  • Diego Lecumberri,
  • Adrián Durán and
  • Francisco J. Peñas

5 March 2026

Water purification and treatment methods are becoming increasingly complex due to the use of new additives, solvents, pesticides, dyes, and other emerging pollutants in industry, agriculture, and households. Consequently, the search for new water tre...

  • Article
  • Open Access
1 Citations
685 Views
23 Pages

4 March 2026

Lead-free perovskite solar cells have become attractive as they are more environmentally friendly than their lead-based counterparts. Among these lead-free perovskite materials is MASnI2Br, which has attracted considerable attention due to its enviro...

  • Review
  • Open Access
1 Citations
676 Views
25 Pages

Innovative Nanowire Structures for Sensors: Advanced Synthetic Nanowire Strategies

  • Cheng Pu,
  • Yao Zhou,
  • Jianxing Zhao,
  • Ao Wang,
  • Jianhong Zhou and
  • Chonge Wang

3 March 2026

This systematic review presents a critical analysis of multifunctional nanowire sensors, with explicit selection criteria for included studies: we focus on peer-reviewed research, prioritizing studies on semiconductor (ZnO, TiO2, Si), metal (Ag, Au),...

  • Review
  • Open Access
1,629 Views
77 Pages

Welding Techniques and Microstructural Control for Dissimilar Cu/Al Joints

  • Dong Jin,
  • Juan Pu,
  • Xiaohui Shi,
  • Xiangping Xu,
  • Zhaoqi Zhang and
  • Fei Long

2 March 2026

Welding copper (Cu) and aluminum (Al) is highly demanded for lightweight and cost-effective manufacturing. However, it faces significant challenges. First, substantial differences in physical properties may lead to high residual stresses and distorti...

  • Article
  • Open Access
557 Views
15 Pages

In Situ Synthesized Manganese Ferrite/Carbon Composite Nano-Material: A Novel Electrode Material for High-Performance Supercapacitors

  • Tshiamo Baloyi,
  • Ndeye Fatou Diop,
  • Rashed Ali Mohamed Adam,
  • Erence Nkuna,
  • Gift Rutavi,
  • Motlalepula Rebecca Mhlongo,
  • Ncholu Manyala and
  • Vusani Muswa Maphiri

2 March 2026

This study presents an in situ synthesis of a novel manganese ferrite/carbon (MF/C) composite material via a citrate sol–gel route followed by calcination in an inert argon (Ar) atmosphere. The structural and morphological and porosity properti...

  • Article
  • Open Access
1 Citations
613 Views
21 Pages

28 February 2026

High residual stresses significantly impact component performance during laser powder bed fusion (L-PBF) of GH3536 alloy. This study systematically investigates the effects of five scanning strategies (X-Scan, XY-Scan, R67, CB90, CB67) on residual st...

  • Article
  • Open Access
342 Views
10 Pages

Surface Energies and Interface Structures of CuZr2 Crystals

  • Hong-Wen Han,
  • Xi-Fang Chen and
  • Jian-Gang Yao

28 February 2026

Cu-Cr-Zr alloy is a typical precipitation-strengthened alloy, and the interface stability between precipitates and the Cu matrix significantly influences the alloy’s strength and properties. However, research in this field is currently lacking....

  • Article
  • Open Access
350 Views
14 Pages

28 February 2026

The control of cladding layer morphology is crucial in laser cladding technology. However, traditional process parameter-based regulation suffers from parameter coupling issues, and previous nanosecond laser pretreatment is prone to causing uneven su...

  • Article
  • Open Access
479 Views
19 Pages

The Influence of La and Ce on Thermal Conductivity of Magnesium Alloys

  • Wei He,
  • Wenxin Hu,
  • Bin Kang,
  • Yuming Lu,
  • Kun Li,
  • Siyuan Qu,
  • Feng Liu,
  • Wei Wang,
  • Yuan Li and
  • He Guo
  • + 1 author

28 February 2026

With the development of science and technology, heat dissipation has become a bottleneck problem restricting the development of fields such as transportation, machinery, electronics, and aerospace. Aiming to resolve the bottleneck problem of low ther...

  • Article
  • Open Access
468 Views
19 Pages

Towards High-Performance Heat-Resistant Magnesium Alloys: The Role of Mn in Asymmetric Extruded Mg-Al-Sn-Ca Alloys

  • Ding-Hao Xu,
  • Xu Guo,
  • Dian-Mai Zhou,
  • Wen-Xue Zhao,
  • Dong-Ri Xu,
  • Hao-Cheng Leng,
  • Yong-Xin Qu,
  • Hao Liu,
  • Ning Zhang and
  • Zhi-Gang Li
  • + 2 authors

28 February 2026

This work systematically investigates the influence of Mn content (0.1, 0.3, and 0.5 wt.%) on the microstructure, mechanical properties, and high-temperature stability of asymmetric extruded Mg-4.0Al-0.8Sn-0.3Ca-xMn alloys. The results demonstrate th...

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Crystals - ISSN 2073-4352