RSC - CrystEngComm latest articles

Layered indium–silver-based hybrid perovskite single crystals for high-performance X-ray detection

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00095A, Paper

Luying Zheng, Binyan Qiu, Xin Huang, Yi Zheng, Min Chen, Xiaoming Jiang, Xieming Xu, Shaofan Wu, Shuaihua Wang
A Dion–Jacobson lead-free perovskite BDA₂AgInBr₈ with high stability enables an X-ray detector with low detection limit (120 nGy_air s⁻¹), fast response (116 ms), and strong radiation hardness (51.2 Gy_air).
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Directionality in Cation-Anion Interactions Involving Chalconium Cations

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00102E, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Mariusz Michalczyk, Steve Scheiner, Wiktor Zierkiewicz
The directionality of bonds is an important feature for many compounds relevant in biochemistry, crystal engineering and materials chemistry. It is widely accepted that a good number of contacts between...
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Formation Pathways and Structural Diversity of Colloidal Tetramers in a Two-Dimensional System: A Brownian Dynamics Study

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00204H, Paper

Masahide Sato, Hiroyasu Katsuno, Yoshihisa Suzuki
The formation of colloidal crystals provides a valuable model system for understanding crystallization mechanisms, because their slow dynamics and large length scales allow direct observation of nucleation and growth processes....
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Second-harmonic generation responses in low-dimensional metal bromides functionalized with L-arginine

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00227G, Communication

Juan Cheng, Yingjie Wang, Qinglan Zhong, Ziyu Zhou, Hongmei Zeng, Guohong Zou, Zhien Lin
Three new organic–inorganic hybrid metal bromides with different structures and nonlinear optical activities have been prepared under the structure-directing effect of L-arginine.
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Structure and luminescence colour change of an iridium(III) bis-terpyridine complex crystal triggered by water sorption/desorption

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00194G, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Yusuke Endo, Mio Kondo, Tomoe Nakamura, Shingo Hattori, Akiko Sekine, Sosuke Kojo, Kazuteru Shinozaki
Luminescence colour changes between yellow and orange in response to H₂O sorption/desorption, accompanied by a drastic structural change between triclinic and orthorhombic crystal systems.
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Dative and Noncovalent Tetrel Bonding in Hemidirected Pb(II) Complexes with Thiosemicarbazone and Hydrazone Ligands: Significance in Crystal Packing and Computational Insights into Pb•••N/S/O Interactions

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00202A, Paper

Suman Adhikari, Sourav Nath, Werner Kaminsky, Sebastian Krajewski, Rahul Shukla, Subhadip Roy
Supramolecular architectures in lead(II) coordination compounds are increasingly recognized for their reliance on unconventional noncovalent interactions, particularly tetrel bonding involving the heavy tetrel atom Pb(II). In this work, two new...
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Multi-Stimuli Chromic Responses (Light/Electro/Amino-) in Zn/Cd-Extended Viologen Materials toward Information Encryption

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00124F, Paper

Chen-Ran Zhang, Ming Xiao, Qun-Shan Ding, Linke Li, Xueli Zhao, Shuang-Quan Zang
Significant progress has been made in the research of stimuli-responsive materials in recent years. Among these, viologen-based functional coordination compounds have shown remarkable prominence due to the excellent redox properties...
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Selective crystallization of D-mannitol polymorphs in a water–isopropyl alcohol mixture through a swift cooling process

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01169H, Paper

Lavanisadevi Subiramaniyam, Srinivasan Karuppannan
Swift cooling crystallization employing a water–isopropanol 1 : 1 (v/v) solvent mixture provides precise kinetic control over D-mannitol polymorphs, enabling the selective and reproducible isolation of desired metastable polymorphs.
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Complete Structural and Electronic Comparison of Chiral and Racemic Ketohexoses: Hydrogen-Bond Network Topology and Interaction Strength Distribution

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00205F, Paper

Tomoko Takashita, Ryunosuke Takata, Mizuki Aoe, Kei Takeshita, Tomohiko Ishii
Racemic crystals are generally expected to exhibit higher densities than their enantiopure counterparts owing to complementary packing of enantiomers (Wallach's rule), yet the structural origin of its deviation in hydrogen-bonded...
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Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D5CE00495K, Paper

Ilya V. Kornyakov, Olga Bubnova, Alexey A. Kalinichev, Marina V. Likholetova, Sergey V Krivovichev
In this work, we report a previously unrecognized type of phase transition within the averievite family of compounds, (MX)Cu₅O₂(VO₄)₂ (M = Cs, Rb, K; X = I, Br). Using temperature-dependent...
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Enhanced photorefractive performance and optical damage resistance in zirconium and uranium co-doped lithium niobate crystals

CrystEngComm, 2026, 28,2714-2720
DOI: 10.1039/D6CE00116E, Communication

Tian Tian, Dong Zhang, Tingfeng Wu, Weiwei Wang, Hongde Liu, Dahuai Zheng, Yaoqing Chu, Hui Shen, Jiayue Xu
Millisecond level photorefractive response together with high saturated diffraction efficiency and strongly enhanced photodamage resistance are achieved in Zr,U co-doped LiNbO₃ (LN:Zr,U) crystals at 442 nm.
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Diverting metal coordination site in flavin–copper complexes for distinct nanoparticle synthesis

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00155F, Paper

Dipayan Mondal, Ashutosh Kumar Mishra
Judiciously designed flavin analogues with different metal coordination sites have been used to engender structurally distinct flavin–copper complexes that are then utilized to generate morphologically distinct cuprous oxide nanoparticles.
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Synthon-driven polymorphism in the favipiravir–theophylline cocrystal

CrystEngComm, 2026, 28,2721-2735
DOI: 10.1039/D6CE00187D, Paper

Prasitaditya Kuri, Jagadeesh Babu Nanubolu
In the newly identified polymorphic form II of the favipiravir–theophylline cocrystal, heterosynthon interactions dominate, distinguishing it from the previously characterized form I, where homosynthons are preferentially formed.
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Effect of substrate rotation and offset on film thickness uniformity in concave-target magnetron sputtering

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01219H, Paper

Jiachen Dong, Baozhang Zhao, Fan Sheng, Pei Li, Li Zhang, Wei Zou, Mei Wang, Zhengwang Cheng
The synergistic effect of substrate rotation and target–substrate offset were investigated and designed to further improve the thickness uniformity of the magnetron-sputtered films with a concave target applied.
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Coordination pyramid inversion, angular cluster core and homochiral single-stranded helix formation in polynuclear Mn(II) assemblies supported by a bicompartmental salen-type ligand based on an o-xylylenediamine platform

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00172F, Paper

Ilia D. Shutilov, Pavel A. Volodin, Lyubov V. Frantsuzova, Aidar T. Gubaidullin, Alexander S. Ovsyannikov, Svetlana E. Solovieva, Igor S. Antipin
New {Mn^II₂} clusters demonstrate Mn^II–N₂O₂Cl coordination pyramid inversion and homochiral helix formation, while the {Mn^II₃} counterpart displays the generation of an asymmetric angular cluster core.
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In situ transmission electron microscopy observations of CaCO3 crystallization onto polysaccharide-coated nanoparticles

CrystEngComm, 2026, 28,2835-2844
DOI: 10.1039/D6CE00012F, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Brenna M. Knight, Biao Jin, Yuna Bae, James J. De Yoreo, Patricia M. Dove
In situ observations of CaCO₃ formation near polysaccharides (PSs) using LP-TEM show nucleation is favored at PS–TEM membrane–solution interfaces. Timing and size are also dependent on macromolecular and solution properties of the interphase region.
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Energetic crystal engineering via intermolecular interactions: from fundamental understanding to advanced application

CrystEngComm, 2026, 28,2697-2713
DOI: 10.1039/D6CE00021E, Highlight

Shiyong Chen, Hui Wang, Yuan Gao, Xin Huang, Hongxun Hao
Energetic materials derive their properties not only from intramolecular bond structure but also from the entire, orchestrated system of non-covalent interactions that govern crystal cohesion.
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Tailoring combustion of composite solid propellants by CoxTiyOz nano-catalysts synthesized from a chemical route

CrystEngComm, 2026, 28,2791-2802
DOI: 10.1039/D5CE01154J, Paper

Hongyang Li, Ruiling Xie, Shentao Zeng, Hong Li, Lixiaosong Du, Qing Cai, Sujun Shi, Ran Wang, Cui Luo, Lijie Li, Ying Liu
Different Co_xTi_yO_z binary metal oxide particles were synthesized and their effect on the catalytic performance of AP were investigated.
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Construction of a Co2(OH)2CO3@CoFe-LDH heterostructure on Ni foam with tunable interfacial properties for electrochemical applications

CrystEngComm, 2026, 28,2803-2814
DOI: 10.1039/D6CE00105J, Paper

Qi Chen, Hongwei Duan, Yan Song, Yaning Guo, Hongge Zhang, Feng Zhang, Xiaobin Hu, Yinfeng Han
A 3D Co₂(OH)₂CO₃@CoFe-LDH/NF heterostructure was fabricated by one-step hydrothermal synthesis. During OER, interfacial evolution with (oxy)hydroxide formation occurs, accompanied by changes in oxygen evolution behavior.
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Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission

CrystEngComm, 2026, 28,2845-2850
DOI: 10.1039/D6CE00125D, Paper

Cheng-Fang Zhang, Wen-He Zhong, Peng-Cheng Ma, Jia-Jia Zhao, Ting Cheng, Li-Zhuang Chen
This paper reports the facile synthesis of zero-dimensional (0D) organic–inorganic hybrid zinc halides: 2ABZnCl₂, 2ABZnBr₂, and 2ABZnI₂ (where 2AB is 2-aminobenzamide).
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Solvent-driven morphology control of plutonium oxalate predicted by molecular dynamics simulation

CrystEngComm, 2026, 28,2736-2749
DOI: 10.1039/D5CE01032B, Paper

Shifan Xu, Jing Ma, Siwen Yuan, Wei Bian, Dehui Wu, Yunhai Huang, Na Wang, Ting Wang, Xin Huang, Zongtai Wang, Hongxun Hao
The crystal morphology of plutonium oxalate in different solutions was systematically predicted, revealing it can be adjusted by altering the solvent type. The mechanism of solvent effect on crystal plane growth was also investigated.
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Bi-doped rare-earth iron garnet films via lead-free liquid phase epitaxy: growth and magneto-optical properties

CrystEngComm, 2026, 28,2762-2768
DOI: 10.1039/D6CE00013D, Paper

Yi Luo, Feifei Chen, Ming Wang, Ye Sun, Jun Pang, Jie Yu, Xiang Li, Fapeng Yu, Xian Zhao
Bi-doped rare-earth iron garnet films grown by lead-free liquid phase epitaxy: high transmittance and specific Faraday rotation, demonstrating great potential applications in Faraday isolators.
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Constructing solid microspheres of CL-20/MTNP cocrystal via droplet microfluidics for improved performance

CrystEngComm, 2026, 28,2778-2790
DOI: 10.1039/D6CE00064A, Paper

Jieran Fang, Xueling Yi, Yuan Bian, Xiaohui Duan
The design and fabrication of materials with hierarchical structures have drawn great attention due to the potential for significantly enhancing their functions.
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Morphology-dependent structural evolution of Co3O4 from Co-ZIFs during thermal decomposition

CrystEngComm, 2026, 28,2750-2761
DOI: 10.1039/D6CE00096G, Paper

Kaidi Li, Dongke Cao, Yubin Li, Zihan Wang, Jiawei Wang, Feng Yu, Xiaoliang Yan
This work reveals the morphology-dependent evolution of Co-ZIFs into Co₃O₄, with precursor morphology and residual carbon jointly regulating structural transformation.
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Growth and characterization of ultra-wide-bandgap MgGa2O4 single crystals

CrystEngComm, 2026, 28,2769-2777
DOI: 10.1039/D6CE00018E, Paper

Huihui Li, Yiyuan Liu, Xinyu Liu, Hongkai Ren, Jiahui Xie, Yang Li, Wenxiang Mu
This study presents the first successful growth of MgGa₂O₄ single crystals using the vertical gradient freeze (VGF) method, achieving high-quality, optically transparent crystals suitable for wide-bandgap semiconductor applications.
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Research progress on defect theory of KDP crystals

CrystEngComm, 2026, 28,2690-2696
DOI: 10.1039/D5CE01097G, Highlight

Yang Li, Mingxia Xu, Baoan Liu, Lisong Zhang, Hongkai Ren, Qingtian Gu, Xun Sun
Potassium dihydrogen phosphate crystals are key materials in high-power laser, nonlinear optics, and optoelectronic functional fields.
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Synthesis, characterization and structure–activity relationship of novel pregabalin cocrystals with sustained-release performance

CrystEngComm, 2026, 28,2815-2834
DOI: 10.1039/D6CE00023A, Paper

Jiaxuan Ren, Di Wu, Yaoguang Feng, Man Zhang, Jiahui Yuan, Na Wang, Ting Wang, Xin Huang, Hongxun Hao
A sustained-release mechanism of the PGB cocrystals is proposed via three features: reduced surface solvation, internal hydrophobic network, and high disruption energy barrier, offering a new paradigm for sustained-release drug design.
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Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00129G, Paper

Manoj Kumar Baskey, Subhajit Ghosh, Sabir Ahmed, Parthasarathi Dastidar
Crystal engineering inspired design of supramolecular gels from carbamoyl azide–NSAID conjugates as anti-melanoma topical gel.
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Investigating the synergistic strengthening in additively manufactured CuCrZr alloys: an in situ study of heterogeneous microstructure deformation and CPFEM analysis

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00024J, Paper

Dongxu Han, Haijun Pan, Zhan Huang, Guili Xu, Songwei Wang, Guangyu Li
LPBF-fabricated CuCrZr with a bimodal structure achieves enhanced strength through hetero-deformation induced hardening. CPFEM and in situ tests show that GND accumulation at soft–hard interfaces provides significant back-stress strengthening.
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Optimized sample-loading method for SERS detection of crystal violet on Ag/ZnO powder: towards rapid and ultrasensitive detection of water contaminants

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00104A, Communication

Amado Carlos García-Velasco, Luis Zamora-Peredo, Monserrat Bizarro, A. Baez-Rodriguez, J. Hernández-Torres, M. A. Díaz-Solís, Teresita de Jesus Olivares Silva
Ultrasensitive and rapid detection of organic pollutans in water is essential for environmental monitoring. Despite advances in SERS substrates, practical use is often limited by sample-loading methods. Our approach enables...
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Optimizing Conditions for the Formation of Calcium Oxalate Trihydrate Using Response Surface Methodology

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00201C, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Nives Matijaković, Arijana Hamzić, Nikolina Filipović, Jelena Brdarić Kosanović, Imre Szenti, Marija Banožić, Anamarija Stanković
Calcium oxalate (CaOx), the main component of kidney stones, occurs in several hydrated forms, among which calcium oxalate trihydrate (COT) is a rare and metastable phase believed to act as...
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Pushing the limits of oxygen balance in pentazolate salts via the theoretical construction of oxidizer-based cocrystal

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01076D, Paper

Zhenyu Yuan, Chen Yang, Lei Wang, Changlin Zhou
Two zero-oxygen-balanced pentazolate cocrystals, [NH₄][N₅]·ADN and [N₂H₅][N₅]·HNF, are predicted to possess superior energy content compared to CL-20.
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Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00233A, Paper

Dmytro M. Khomenko, Oleksandr V. Vashchenko, Roman O. Doroshchuk, Viktoriya S. Starova, Mariia Hreben, Valerii Bukhanko, Andrii Yatsymyrskyi, Sergiu Shova, Olga Vassilyeva, Rostyslav Lampeka
The management and recycling of accumulated depleted uranium may benefit from the development of novel organic heterocyclic systems that can be used as ligands for uranyl complexes in advanced materials....
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Experimental measurements and density functional theory analysis of a novel Mannich base: structural and nonlinear optical perspectives

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01064K, Paper

A. Dennis Raj, M. Jeeva, R. Purusothaman, I. Vetha Potheher
The Mannich derivative 1-(phenyl(pyrrolidin-1-yl)methyl)naphthalen-2-ol (PPM) was synthesized and crystallized for the first time by slow evaporation under ambient conditions. Compared to KDP and urea crystals, PPM shows superior SHG efficiency.
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Correction: Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE90053D, Correction

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Randa Abd Almoaeen, Mickey Vinodh, Fatemeh H. Alipour, Talal F. Al-Azemi
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2D Stranski–Krastanov growth of planar AuAg nano-dendrimers for enhanced visible-light plasmonic catalysis

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00228E, Paper

Qiuxiang Sun, Xiangyu Tong, Xusheng Chen, Zhaoqiang Wang, Xiaohu Wu, Yanyun Ma, Yiqun Zheng
Plasmonic AuAg nano-dendrimers act as efficient visible-light photocatalysts due to their unique branched morphology, which generates hot electrons for plasmon-enhanced reduction of p-nitrophenol.
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A pentagonal bipyramidal cobalt(II) single-ion magnet tape

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00257A, Communication

Meng-Tan Cai, Akshay Pratap Singh, Zi-Han Xu, Dong Shao, Si-Chen Zhang, Jiong Yang, Bing-Shan Zhao, Saurabh Kumar Singh
The first seven-coordinate single-ion magnet (SIM) tape featuring pentagonal bipyramidal cobalt(II) centers was synthesized and magnetically characterized.
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The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00160B, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Benita Barton, Muhammad-Ameen Adam, Eric C. Hosten
Least preferred guest, p-xylene, occupied bidirectional channels in its complex with N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine, while more favoured o- and m-xylene were located in unidirectional channels.
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The crystal engineering foundations of the MOF Nobel Prize

CrystEngComm, 2026, 28,2483-2488
DOI: 10.1039/D5CE90173A, Editorial

Nathaniel L. Rosi, Shuhei Furukawa, Stuart R. Batten, Christian J. Doonan
Nathaniel Rosi, Shuhei Furukawa and Stuart Batten share their experiences of working on MOFs in future Nobel-winning laboratories.
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Single crystal growth and structural characterization of synthetic U(VI) peroxide phases, studtite (UO2(O2)(H2O)2·2H2O) and metastudtite (UO2(O2)(H2O)2)

CrystEngComm, 2026, 28,2542-2547
DOI: 10.1039/D6CE00118A, Communication

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Grant C. Benthin, Cameron J. Flester, Tori Z. Forbes
H₂O₂ vapor diffusion forms single crystals of U(VI) peroxide, studtite, that can be dehydrated to create SCXRD-quality crystals of metastudtite.
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Low-cost chrysotile-supported Cu–Ce bimetallic catalyst for efficient peroxymonosulfate activation: singlet oxygen-driven dye degradation

CrystEngComm, 2026, 28,2658-2669
DOI: 10.1039/D6CE00071A, Paper

Xuekun Tang, Jiawei Huang, Wei Li, Zhenfeng Zhou, Youwei Yang, Zishuai Liu
This study highlights the potential of chrysotile as a low-cost natural support and provides an efficient and practical strategy for treating refractory dye wastewater.
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Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations

CrystEngComm, 2026, 28,2535-2541
DOI: 10.1039/D6CE00045B, Communication

Hui-Xue Lei, Ze-Xun Zhang, Xin-Xiong Li, Qiao-Huang Wei, Hao-Hong Li, Shou-Tian Zheng
Here, two new isostructural 2D inorganic–organic hybrid polyoxometalates with different counter cations were synthesized, and modulating counterions was shown to effectively tune the performance of POM-based resistive random-access memory.
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Synergistic optimization of surface reconstruction and active site construction: GaAs/NiO/Cu(OH)2 for photoelectrochemical water splitting

CrystEngComm, 2026, 28,2629-2639
DOI: 10.1039/D5CE01190F, Paper

Yanling Wang, JunKun Wang, Wentao Qu, Jiehui Liang, Shaohua Xie, Xiangrong Li, Dongman Hou, Wenliang Wang, Guoqiang Li
GaAs/NiO/Cu(OH)₂ photoelectrodes engineered with heterojunctions and surface reaction layers enhance charge carrier transport, thereby improving the photoelectrochemical (PEC) water splitting performance of the electrodes.
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Modulating some photophysical properties of cocrystals

CrystEngComm, 2026, 28,2548-2559
DOI: 10.1039/D6CE00063K, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Aloka A. Marasinghe, Boris B. Averkiev, Christer B. Aakeröy
Cocrystal synthesis can effectively tune some photophysical properties of organic solids and provides key design principles for new materials.
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Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides

CrystEngComm, 2026, 28,2648-2657
DOI: 10.1039/D6CE00075D, Paper

Arcadius V. Krivoshein, Marina S. Fonari, Boris B. Averkiev, Victor N. Khrustalev, Victoria Sena, Tatiana V. Timofeeva
The preference for either layer or ribbon is determined by the bulkiness of substituents as well as their positions.
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Multiscale simulations of gas hydrates: from molecular mechanisms to mesoscale growth and macroscale flow and production predictions

CrystEngComm, 2026, 28,2513-2534
DOI: 10.1039/D6CE00054A, Highlight

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Miguel Pineda, Anh Phan, Michail Stamatakis, Alberto Striolo
This article highlights advances and challenges in bridging spatial and temporal scales to enable predictive gas hydrate simulations.
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A kinetically informed thermodynamic (KIT) design framework for understanding the crystallization characteristics of resveratrol

CrystEngComm, 2026, 28,2670-2680
DOI: 10.1039/D5CE00702J, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Monika Neal, Álmos Orosz, Rekha Rao, Zoltan K. Nagy
A kinetically informed thermodynamic design combines solubility data, visual kinetic assessment, and experimental design to guide solvent selection, highlighting cooling rate and seeding to reduce agglomeration and achieve desired crystal properties.
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Highly efficient dual-wavelength InGaN-based light-emitting diodes for a 107% NTSC color gamut display backlight module

CrystEngComm, 2026, 28,2640-2647
DOI: 10.1039/D5CE01184A, Paper

You-Jia Chen, Hao Lee, Li-Sheng Hu, Huai-Chin Huang, Hsing-Ting Hung, Chuang-Yu Hsieh, Tien-Chang Lu, Yuh-Renn Wu, Chia-Yen Huang
In this report, we designed and fabricated an InGaN-based dual-wavelength light-emitting diode (LED) for a wide gamut and energy-efficient backlight module.
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Recent advancements in multi-stimuli-responsive organic and inorganic materials: crystallographic insights into structure–function relationships

CrystEngComm, 2026, 28,2489-2512
DOI: 10.1039/D6CE00019C, Highlight

Jayaraman Pitchaimani, Vedichi Madhu
Crystallography is crucial tool for understanding molecular structures, symmetries, molecular interactions, dynamic behaviors, and the structure–function relationship of crystalline materials.
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Interrelation between the exponential absorption-optical band width and degree of crystalline perfection in nonlinear optical bulk single-crystals

CrystEngComm, 2026, 28,2605-2618
DOI: 10.1039/D6CE00093B, Paper

Sivakumar Aswathappa, Lidong Dai, Sahaya Jude Dhas Sathiyadhas, Raju Suresh Kumar, Abdulrahman I. Almansour, Magesh Murugesan
Herein, we propose an alternative approach to assess the degree of crystallinity of the NLO crystals by exponential absorption band width and found that it is indirectly proportional to the degree of crystalline nature.
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Temperature dependent phase segregation and morphology evolution in Ca1−xBaxF2 solid solution grown on Si(001) with an epitaxial CaF2 sublayer

CrystEngComm, 2026, 28,2619-2628
DOI: 10.1039/D5CE01069A, Paper

A. K. Kaveev, E. A. Alexeev, E. I. Belyakova, Sh. A. Yusupova, D. V. Miniv
Pb_0.7Sn_0.3Te grown on Si(001) with an epitaxial optimized Ca_1−xBa_xF₂ sublayer.
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Effects of vacancy defects on the structural stability and thermal decomposition of CL-20/MTNP cocrystals: a reactive molecular dynamic study

CrystEngComm, 2026, 28,2578-2594
DOI: 10.1039/D6CE00053C, Paper

Umair Afzal, Mengyun Mei, Weihua Zhu
ReaxFF-lg molecular dynamics was used to study the effects of vacancy defects on the structural stability and thermal decomposition behavior of CL-20/MTNP (2,4,6,8,10,12-hexanitrohexaazaisowurtzitane/1-methyl-3,4,5-trinitropyrazole) cocrystals.
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Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles

CrystEngComm, 2026, 28,2560-2577
DOI: 10.1039/D5CE01173F, Paper

Lyudmila G. Kuz'mina, Artem I. Vedernikov, Sergey K. Sazonov, Nadezhda A. Aleksandrova, Michael V. Alfimov, Sergey P. Gromov
In crystals of protonated styryl heterocycles hydrogen bonds affect the crystal packings, which may be favorable for [2 + 2] photocycloaddition.
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Synthesis of NaA zeolite membranes with high water flux on macroporous Si3N4

CrystEngComm, 2026, 28,2595-2604
DOI: 10.1039/D5CE01075F, Paper

Chaochen Zou, Yongfeng Xia, Dongxu Yao, Ming Zhu, Jun Zhao, Rui Yao, Yu-Ping Zeng
NaA zeolite membrane was hydrothermally synthesized on a seeded macroporous Si₃N₄ support. The resulting membrane exhibited a flux up to 5.76 kg m⁻² h⁻¹ and a separation factor of 8432 for the dehydration of 90 wt% ethanol/water at 70 °C.
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Solvent-Free Modafinil Acid Cocrystallization through Green Melt-based Approach

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00119J, Paper

Timothy Joseph Hutagaol, Jianmin Zhou, Ziyi Liu, Zhenguo Gao, Junbo Gong
This study presents a rational crystal engineering strategy for the accelerated, solvent-free preparation of pharmaceutical cocrystals, utilizing an integrated approach that combines predictive machine learning (ML) screening with the melt-based...
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Spiral-Stacked Crystal Assembly Leading to Intensified Iridescence in Poly(trimethylene terephthalate)

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00128A, Paper

Graecia Lugito, Selvaraj Nagarajan, Widyantari Rahmayanti, Siti Nurkhamida, Eamor M Woo, Hikmatun Ni'mah
Poly(trimethylene terephthalate) (PTT) is used as an ideal model to study the correlation between the interior 3D assembly and surface banding topology subjected to various etching methods (physical and chemical)...
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Robust ditopic enaminone-and hydrazone-linked aminefunctionalized porous organic cage for effective permanganate capture and conversion

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D5CE01205H, Paper

Jiajia Sheng, Yanan Guo, Guoshi Zhang, Wenjing Wang, Kongzhao Su, Daqiang Yuan
Potassium permanganate (KMnO?) is widely employed as an oxidizing agent for water purification and pollutant removal. However, the residual MnO?? in water presents substantial health risks, and thus the efficient...
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Stepwise Introduction of Dipole Blades into Triptycenes: Opening Variety of the Crystalline Molecular Packing Modes

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00126B, Communication

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Hikaru Yamamoto, Yoshichika Tsubakihara, Ayana Sato-Tomita, Mingoo Jin
We report that stepwise introduction of difluorophenylene as dipolar blades into triptycenes diversifies the intermolecular packing modes in crystals. Single crystal XRD study revealed that changing the number of dipoles...
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Fluid-Shear Driven Secondary Nucleation Using α and γ-Glycine Seeds Confirmed with Rigorous Control Experiments †

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00279J, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Lucas Nahas, Mei Lee, Mark Haw, Jan Sefcik
The effect of fluid shear on secondary nucleation has long been been debated in the crystallisation literature. In this work, we investigated the influence of seed polymorphism on secondary nucleation...
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Microwave-Assisted Rapid Synthesis of Ultralong Hydroxyapatite Nanowires Using Glycerophosphate and Their Ordered Assembly into Flexible Macroscopic Fibers

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00214E, Paper

Si-Yi Li, Yu Zhang, Ying-Jie Zhu, Hanping Yu
Hydroxyapatite (HAP) nanowires are promising biomaterials due to their biocompatibility and compositional/structural similarity to bone and dental tissues, yet conventional synthesi¬s methods yield brittle, low-aspect-ratio structures limiting flexibility and functionality....
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From conformational lability to conformational control in short-peptide crystals

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00117C, Highlight

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Joanna Bojarska, Martin Breza, Sepideh Jafari, Wojciech M. Wolf
Conformational lability in short peptides can, under defined conditions, be translated into reproducible conformational control in crystal structures.
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The effect of n-butanol on regulating the solubility–temperature characteristics for the growth of high-quality CsPbBr3 single crystals

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00074F, Paper

Jianing Hu, Fangxiong Tang, Yan Zhu, Yuzhe Zhang, Huaxing Gou, Haoyan Ye, Siyu Han, Hengyong Bu, Run Xu
n-Butanol regulates the solubility–temperature behavior of CsPbBr₃ to grow high-quality single crystals for radiation detection.
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Two-dimensional Ni-BPDC MOF-nanosheet-supported low-Pt catalyst for high-performance hydrogen evolution

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00073H, Paper

Xuliang Zhang, Haozhe Shen, Wen Zhang, Shuang Ma, Gang Tian, Jiangwei Zhao, Tolkyn S. Baizhumanova, Svetlana A. Tungatarova, Xiangqian Li, Heng Zhang
Faced with a global energy crisis and environmental pollution caused by excessive fossil fuel consumption, the electrolytic decomposition of water presents a highly viable method for generating hydrogen.
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Morphology and crystallinity tuned luminescence properties of lanthanide-doped YPO4 nanoparticles via a facile room-temperature synthesis

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00007J, Paper

Laishram Peter Singh, Loitongbam Thoithoi Singh, Aribam Rishikanta Sharma, Thokchom Taru Taru Chanu, Potshangbam Sorodhoni Devi, Konjengbam Jeelina Devi, Ningombam Banshi Devi, W. Rameshwor Singh, Raju Laishram
Luminescent lanthanide-doped nanoparticles are conventionally synthesised under high-temperature conditions with extended reaction times.
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Bridgman-grown SbSnSe3 crystal: exploring its potential for thermoelectric and photosensitive applications

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00057F, Paper

Kruti Bhupendrakumar Soni, Zubin R. Parekh, Sandip V. Bhatt, Swati J. Pandya, S. H. Chaki, M. P. Deshpande
The layered SbSnSe₃ crystal exhibits pronounced anisotropic photoresponse under low-bias illumination, showing enhanced responsivity along the perpendicular direction compared to parallel orientation.
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Synthesis and structural characterization of novel salts of ticlopidine with enhanced solubility and dissolution rate

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00015K, Paper

Agantuk Saha, Sunanda, Angshuman Roy Choudhury
Novel salts of Ticlopidine with enhanced solubility and IDR have been illustrated with structural insights.
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Post-synthetic sulfonation of MIL-101(Cr) enabling high-performance fructose conversion to 5-HMF

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00078A, Paper

Maryam Ghahremani, Majid Masteri-Farahani, Saeideh-Sadat Mortazavi
The design of structurally resilient and catalytically efficient solid acid materials remains a central challenge in biomass valorization.
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GQD-assisted MnO6 octahedra engineering in CuMnO2 for high-performance coin-cell supercapacitors

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00061D, Paper

Raushan Kabir, Sudipta Goswami, Dipten Bhattacharya, Saikat Kumar Seth, Chandan Kumar Ghosh
The growing demand for sustainable energy solutions has accelerated research on advanced supercapacitive electrode materials.
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From polyhedra to crystals: a graph-theoretic framework for crystal structure generation

CrystEngComm, 2026, 28,2293-2304
DOI: 10.1039/D5CE01176K, Highlight

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Tomoyasu Yokoyama, Kazuhide Ichikawa, Hisashi Naito
Crystal structure generation via polyhedral tiling: we encode space-filling polyhedra as a dual periodic graph and generate crystal structures through the standard realization of this graph.
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A comprehensive investigation of the structural and optical properties of L-Dopa doped ADP crystals

CrystEngComm, 2026, 28,2311-2317
DOI: 10.1039/D6CE00130K, Paper

Amol Mithani, Ashwini Mahadik, P. H. Soni
Slow-evaporation grown L-Dopa doped ADP crystals show successful dopant incorporation, retained tetragonal symmetry, shifted FTIR modes, enhanced band gap of 5.33 eV, maintained transparency, and strong nonlinear optical performance.
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Highly efficient near-infrared emission from Cr3+-sensitized double perovskite Cs2Ag0.6Na0.4InCl6:Tm3+ under visible light excitation

CrystEngComm, 2026, 28,2415-2423
DOI: 10.1039/D6CE00056H, Paper

Qi Zheng, Tianyun Du, Chunqian Xu, Xiuxun Han
Cr³⁺-sensitized Cs₂Ag_0.6Na_0.4InCl₆:Tm³⁺ double perovskites achieve efficient NIR emission at 1226 nm with a high PLQY of 35.8% through an effective energy transfer strategy, demonstrating great potential in non-destructive detection and bioimaging.
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Molecular dynamics study on thermal conductivity of KH2PO4 with vacancy defects

CrystEngComm, 2026, 28,2393-2402
DOI: 10.1039/D5CE01207D, Paper

Yifan Zhang, Tingting Sui, Xin Ju, Baoan Liu
NEMD simulations reveal a thermal suppression hierarchy (V_O > V_K > V_H) in bulk KDP. The disruption of [PO₄]³⁻ framework by oxygen vacancies induces the strongest phonon scattering, establishing a quantitative basis for defect engineering.
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A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties

CrystEngComm, 2026, 28,2373-2381
DOI: 10.1039/D6CE00092D, Paper

Qi Wang, Haoran Li, Xinuo Jin, Wendi Gao, Hui Peng, Yuqing Cai, Wenwen Zi, Wenyu Yin, Jinle Hou, Di Sun
Three novel TOCs, Ti4, Ti5, and Ti7, were synthesized using 2,8-quinolinediol as the ligand. These clusters display progressively increasing nuclearity, distinct inorganic core topologies, and photoelectric properties.
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Palladium(II) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding

CrystEngComm, 2026, 28,2443-2454
DOI: 10.1039/D6CE00085A, Paper

Jacob U. Abulkhaev, Artem V. Semenov, Daniil M. Ivanov, Eugene V. Ignatov, Sergey V. Baykov, Nadezhda A. Bokach
Palladium(II) complexes bearing 5-acetylmethyl-1,2,4-oxadiazole ligands represent versatile building blocks for supramolecular chemistry through the formation of I⋯N halogen bonds with iodinated perfluoroarenes.
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NiS2-integrated Cd-oxalate MOF: a multifunctional platform for selective 2,4-D amine sensing and efficient NR/EBT photodegradation

CrystEngComm, 2026, 28,2333-2354
DOI: 10.1039/D5CE01183C, Paper

Azaz Ahmed, Musheer Ahmad, Chandrakant Thakur, Astakala Anil Kumar, Nohyun Lee, Nazrul Haq, Kafeel Ahmad Siddiqui
The excessive use of agrochemicals and synthetic dyes poses major environmental and health risks, requiring efficient detection and remediation strategies.
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A model for the determination of interfacial energy and pre-exponential factor from the metastable zone width for combined antisolvent/cooling, antisolvent, or cooling crystallization

CrystEngComm, 2026, 28,2424-2433
DOI: 10.1039/D5CE01211B, Paper

Jia-Hao Ye, Chen-Ting Wu, Kuo-Jen Lin, Lie-Ding Shiau
One integral equation and two linearized equations have been developed according to the classical nucleation theory to determine the interfacial energy and pre-exponential factor from metastable zone width data.
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Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs

CrystEngComm, 2026, 28,2455-2467
DOI: 10.1039/D5CE00837A, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Ryunosuke Konno, Manami Fujita, Rima Maekawa, Hyuma Masu, Kosuke Katagiri
Weak intermolecular interactions and crystal polymorphism provide a control over the excited-state dynamics of phosphine oxides. Furthermore, structural transformations in the crystal lattice may also influence luminescent properties.
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Wadsley vanadium oxides

CrystEngComm, 2026, 28,2285-2292
DOI: 10.1039/D5CE01171J, Highlight

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Andrzej Grzechnik, Karen Friese
High-pressure synthesis in the system V₂O₅–VO₂ yields materials with the rutile-related structures in a wide compositional range.
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High-pressure neutron powder diffraction study of an arsenolite deuterium inclusion compound: structure and formation kinetics

CrystEngComm, 2026, 28,2434-2442
DOI: 10.1039/D5CE01193K, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Piotr A. Guńka, Maciej Dranka, Christopher J. Ridley, Nicholas P. Funnell, Craig L. Bull
High-pressure neutron diffraction shows that arsenolite forms a stable 1 : 2 deuterium inclusion compound (As₄O₆·2D₂), where D₂ occupies one crystallographic site and becomes rotationally disordered on decompression without additional site occupancy.
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Sputtering MoO2 blocking layers for enhancing the efficiency and dynamic response of CZTSSe solar cells

CrystEngComm, 2026, 28,2364-2372
DOI: 10.1039/D6CE00017G, Paper

Shulei Liang, Yingjun Zhou, Yujun Li, Chuanhe Ma, Hailong Wang
Sputtering MoO₂ blocking layers boosted the dynamic response of CZTSSe solar cells with a PCE of 11.45%.
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From 3-fold to 6-fold: tuning interpenetration of Zn-triphenylenehexathiolate MOF through precursor hydration

CrystEngComm, 2026, 28,2305-2310
DOI: 10.1039/D6CE00077K, Paper

Haihan Qin, Jieying Hu, Jian-Rong Li, Long Jiang, Lai-Hon Chung, Jun He
Reacting masked hexakis(thio)triphenylene, HVaTT, with anhydrous Zn salts and NaOH gives a crystallographically resolved 6-fold interpenetrating [ZnS₄]-bridged framework, Zn-HTT-6F.
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Spin-crossover iron(II) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties

CrystEngComm, 2026, 28,2355-2363
DOI: 10.1039/D6CE00062B, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Minghui Zhang, Frank W. Heinemann, Marat M. Khusniyarov
A series of bis(pyrazol-1-yl)pyridine (BPP)-based iron(II) complexes bearing either boronic acid or boronic monoester groups, with the general formula [Fe^II(BPP)₂](ClO₄)₂, have been synthesized and characterized in the solid state.
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Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media

CrystEngComm, 2026, 28,2382-2392
DOI: 10.1039/D5CE01203A, Paper

Rakesh Kumar, Anupam Maiti, Bidyadhar Mahato, Debajyoti Ghoshal
This study highlights how rational structural modulation in coordination polymers can effectively tune the luminescence-sensing behaviour toward Hg²⁺ for its selective detection in aqueous media.
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A solvatochromic luminescence color switchable iridium(III) complex of a click-generated ligand for nitroaromatic explosive detection

CrystEngComm, 2026, 28,2403-2414
DOI: 10.1039/D5CE01192B, Paper

Snehadrinarayan Khatua, Nimisha Kashyap, Bhaskar Sen, Khanindram Baruah, Monosh Rabha, Dip Jyoti Kalita
An iridium(III) complex-based probe containing a click-generated ligand with solvatofluorochromism is reported for the highly selective and sensitive turn-off luminescence detection of picric acid in mixed aqueous media.
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Molecular-level insights into small organic molecule dipyrone crystallization by MD-based strategies

CrystEngComm, 2026, 28,2318-2332
DOI: 10.1039/D5CE01008J, Paper

Yi Sui, Wenchun Jiang, Yingzheng Meng, Zhuwen Shao, Huibo Meng
Using a MD approach, the crystallization process of complex organic small-molecules was systematically investigated, and corresponding methods for visualization post-processing and interaction energy evaluation were developed.
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A facile method to grow crystals of the cobalt tellurite multiferroic material Co3TeO6

CrystEngComm, 2026, 28,2468-2472
DOI: 10.1039/D5CE01122A, Paper

Chaoqun Zhou, Luyao Wang, Xiuyun Lei, Congling Yin, Laijun Liu, Wenbin Guo
A crystal growth method for Co₃TeO₆ is developed by utilizing Na₂Co₂TeO₆ polymophs as the precursor, where the reaction mechanism is established and indirectly proved by the observation of Na₂MoO₄ and Na₂TeO₄ by-products.
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Role of Dy 3+ ion clusters in CaF 2 : Dy 3+ crystals on yellow and mid-infrared laser characteristics

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00206D, Paper

Longxing Zheng, Yixiang Huang, Zhaojie Zhu, Yi-Zhi Huang, Chaoyang Tu, Lakshminarayana Gandham, Yan Wang
CaF2 single crystals doped with Dy3+ in different concentrations (1–8 at.%) were grown by the Bridgman method. Their structural and spectral features were studied to realize the concentration quenching mechanisms...
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Study on the preparation of Mn2V2O7 microstructure with enhanced electrochemical lithium storage performance

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01218J, Paper

Mengwen Hu, Piyu Gong, Jumiao Shi, Shuo Tao, Haibo Li, Suyuan Zeng, Lei Wang
In this work, Mn₂V₂O₇ samples were prepared and utilized as anodes for electrochemical lithium storage. The synergistic effect between Mn and V improves the electrochemical activity, the pseudocapacitive effect enhances the lithium storage capacity.
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Ligand Modification on Organotin-Oxo Clusters for Enhanced Third-Order Nonlinear Optical Response

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00120C, Paper

Yang-Hong Liu, Hao Li, Hui-Ru Lou, Er-Xia Chen, Jin-Xia Yang, Qipu Lin
Elucidating the influence of intermolecular weak interactions on third-order nonlinear optical (TONLO) responses remains a significant challenge in materials science. Herein, two isostructural enantiomeric pairs of tetranuclear organotin-oxo clusters, denoted...
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Concentration-dependent nucleation of pyrazinamide polymorphs monitored by dynamic light scattering

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01179E, Paper

Sakshi P. Dahake, Manish Kumar Mishra, Kamini Mishra
A dynamic light scattering (DLS)-based approach reveals how solvent and concentration govern pyrazinamide polymorph formation, offering real-time insight into nucleation and growth pathways in pharmaceutical crystallization.
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Carbon inclusions in the growth of an 8 inch 4H-SiC crystal

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00148C, Paper

Lingling Xuan, Xinyu Xie, Sheng'ou Lu, Qinqin Shao, Anqi Wang, Zeyu Chen, Fan Wang, Junyi Shen, Can Cui, Xu Lingmao, Xiaodong Pi, Deren Yang, Xuefeng Han
Forces acting on graphite particles, their trajectories, and the distribution of carbon inclusions in 4H-SiC crystals grown by the PVT method.
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Sulfate-modified TiIV–ZrIV-heterometallic germanotungstate used for catalyzing the Knoevenagel condensation reaction

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01157D, Paper

Peijun Gong, Hailou Li, Junwei Zhao, Guo-Yu Yang
A sulfate-modified Ti^IV–Zr^IV-heterometallic germanotungstate 1 was synthesized and used for the Knoevenagel condensation reaction between various aldehydes with malononitrile as a heterogeneous catalyst.
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Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00081A, Paper

Daria P. Gerasimova, Dmitry V. Zakharychev, Alina F. Saifina, Robert R. Fayzullin, Olga A. Lodochnikova
Within of supramolecular dynamic stereochemistry the ability of a steviol derivative to form two stereochemically different types of homochiral dimers in crystals, namely non-symmetrical and pseudo-symmetrical, has been studied.
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Supercooling behavior in the melt crystallization process of ammonium dinitramide (ADN) and the corresponding regulation strategy

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00142D, Paper

Zheng Xing, Ke Liang, Yuezhou Liu, Yang Wu, Zongyang Yue, Yinglei Wang
TKX-50, as a heterogeneous nucleating agent, significantly reduced the supercooling degree of ADN, raising the melt crystallization temperature from 25.5 °C to 84.5 °C.
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Ion doping induced photoconductivity enhancement and fast photorefractive response in LiNbO3 and LiTaO3 crystals: defect structure evolution and mechanism

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00162A, Paper

Feng Xie, Guoyang Wang, Liang Yu, Shuangquan Fang
Lithium niobate (LiNbO₃, LN) and lithium tantalate (LiTaO₃, LT) crystals are two of the most important photorefractive materials with extensive applications in holographic storage and optical information processing.
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Effect of N–H–S codoping on high-pressure synthesized diamond along the (100) crystal plane

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00106H, Paper

Jianghe Liao, Fuming Deng, Ziyi Liu, Yong Li, Qiang Chen, Houzhen Chen, Xiaotian Xing, Wenli Deng, Yishuang Xu
The synthesis of diamonds containing specific target elements is crucial for developing diamond properties.
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Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D5CE00592B, Paper

Margareta Cristina Balogh, Boe M Claybourn, Thierry Bonnaud, Mateusz B. Pitak
A good understanding of the solid-state properties of drug molecules is essential to drug development. Mirabegron is a first in class β3-adrenoceptor agonist, marketed as a free form practically insoluble...
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Solid–liquid equilibria in the aqueous chiral homophenylalanine system and solid-state characterisation of the racemic species

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00109B, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Axel Schultheis, Klaus Merz, Vico Tenberg, Heike Lorenz
The racemic compound forming character of the chiral D-/L-homophenylalanine/water system was revealed, single crystal structures of the L- and DL-species obtained, and a decomposition-dominated thermal behaviour of the racemic compound found.
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Atom orientation in SBU-induced conformational isomerism in hydroxamate-based In-MOFs

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00133E, Paper

Changmeng Yang, Yingxiang Bai, Ruwei Shen, Dunru Zhu
Three novel In-MOFs 1–3 based on 1,4-benzenedihydroxamic acid have been synthesized and characterized by X-ray crystallography. 1 and 2 are conformational isomers induced by the atom orientation in the SBU, while 3 is a 2D sql network.
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Synthesis and sorption-induced phase transformation of Co-based zeolitic imidazolate framework polymorphs

CrystEngComm, 2026, 28,2250-2262
DOI: 10.1039/D5CE01115A, Paper

Nadiia V. Roik, Iryna M. Trofymchuk, Lyudmila F. Sharanda, Peter Švec, Oleksandr S. Roik
The synthesis of Co-ZIF polymorphs was realized in an aqueous medium. The variation of reaction mixture composition along with the metal precursor addition strategy allowed to prepare leaf-like, cuboid, pitaya-like, and rhombic dodecahedron Co-ZIFs.
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