Themed collection 2025 Highlight article collection

Progress in niobium-derived MXenes: synthesis, properties and applications
This review explores the synthesis, properties, and applications of Nb-based MXenes in energy storage, electrocatalysis, hydrogen evolution, EMI shielding, sensing, and biomedicine.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D4CE01232A
Diving into the invisible region—a review of crystallographic-site-dependent ultraviolet and near-infrared luminescence of the garnet structure
Invisible luminescence materials have attracted considerable attention due to their versatile applications in sterilization, photocatalysis, plant growth, night vision, and laser technology.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00142K
Designing of self-assembled supramolecular frameworks for recognition of anion–water clusters: recent highlights
This highlight summarises recent research work done in the field of anion recognition chemistry, with a focus on designing artificial receptors for encapsulating anion–water clusters.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00122F
Thiazolothiazole based functional metal–organic frameworks
Thiazolothiazole-based MOFs offer a versatile platform for multifunctionality. This highlight reviews ligand design, synthesis methods, applications, challenges, and future trends.
CrystEngComm, 2025,27, 2611-2622
https://doi.org/10.1039/D5CE00169B

Computational insights on dynamic disorder in molecular crystals – from electron structure over phonons to thermodynamics
This highlight article presents a mosaic assembling the achievements of computational modeling of the impact of dynamic disorder in molecular crystals on the performance of organic barocaloric, pharmaceutical or semiconductor materials.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00209E
Advancing zeolite design via ionic liquid templating approach
Ionic liquids construct zeolites with their unique properties, serving as solvents, structure-directing agents, porogens, and post-synthetic modifiers. This approach is reshaping zeolite synthesis and enabling the creation of new frameworks.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00253B

What drives porosity in aluminosilicate zeolites?
Phase selection, and thus porosity, in aluminiumsilicate zeolites is driven by competition between water and framework elements to coordinate with extra-framework cations.
CrystEngComm, 2025,27, 2452-2461
https://doi.org/10.1039/D5CE00034C
Crystal habit modification of sodium chloride using habit modifiers: a dive into more than 50 years of research & development on crystal habit modification of rock-salt crystals
Crystal habit modification of salt crystals has been a fascinating area of research for decades.
CrystEngComm, 2025,27, 2439-2451
https://doi.org/10.1039/D4CE01055H
Nanococrystals: a promising strategy for improved drug performance
The process of producing a nanosized cocrystal employing two or more components that possess hydrogen bonds, pi–pi stacking, and van der Waals interactions is known as nanococrystallization.
CrystEngComm, 2025,27, 2260-2280
https://doi.org/10.1039/D5CE00144G
Accelerating materials property discovery in uncharted domains through the integration of high-throughput computation and machine learning
This work presents a data-driven framework that integrates HT computations and ML to accelerate materials discovery, enabling efficient feature extraction, structure–property analysis, and performance prediction for various applications.
CrystEngComm, 2025,27, 2251-2259
https://doi.org/10.1039/D5CE00096C

Conformational analysis of biomineral proteins interacting with inorganic minerals using dispersive mineral particles for solution NMR
Biominerals form via organic–inorganic interactions, but their molecular mechanisms remain unclear. Solution NMR with dispersive mineral particles enables conformational analysis, providing insights for biomimetic mineral synthesis.
CrystEngComm, 2025,27, 2043-2063
https://doi.org/10.1039/D4CE01253D

Molecular beam epitaxy of AlGaN nanowires: source configuration and correlated material properties and device characteristics
Advancement on the molecular beam epitaxy of AlGaN nanowires is discussed with a focus on the effect of system layout, through which it aims to spark new thinking on how the system layout – a less discussed topic – affects the material properties.
CrystEngComm, 2025, Advance Article
https://doi.org/10.1039/D5CE00147A

Inclusion and intercalation compounds of arsenic(III) oxide polymorphs
State-of-the-art studies of arsenic(III) oxide inclusion compounds with hydrogen and helium, as well as intercalation compounds with alkali metal and ammonium (pseudo)halides, are highlighted with a particular emphasis on secondary interactions.
CrystEngComm, 2025,27, 1862-1872
https://doi.org/10.1039/D5CE00135H

Unveiling POM–peptide complexes: molecular insights into metal oxide nanoparticle–protein interactions
Factors influencing Keggin polyoxometalate species interaction with small peptide molecules have been summarized providing models for investigation of mineral nanoparticle–protein interactions.
CrystEngComm, 2025,27, 1679-1686
https://doi.org/10.1039/D4CE01269K
Metal–organic framework-based catalysts toward the electrosynthesis of urea
Highlighting MOF-based materials for efficient electrocatalytic urea synthesis.
CrystEngComm, 2025,27, 1521-1528
https://doi.org/10.1039/D5CE00139K
Advances in metal sulfide anodes for high-performance sodium-ion batteries
In this review, recent research advancements in the field are highlighted, addressing technological challenges and exploring promising research prospects for the future development of MSs.
CrystEngComm, 2025,27, 1225-1239
https://doi.org/10.1039/D4CE01209G
Advances in silver-based chalcogenide flexible thermoelectric materials
Silver-based chalcogenides have intrinsic plasticity and excellent thermoelectric properties and are potential materials for flexible thermoelectrics. In this work, the properties, optimization, and application of these materials are reviewed.
CrystEngComm, 2025,27, 1055-1077
https://doi.org/10.1039/D4CE00915K
Classification of crystal structures of extended aromatic hydrocarbons and the systematic relations
Crystal structures of extended aromatic hydrocarbons are systematically classified starting from the orientation of the non-parallel interaction.
CrystEngComm, 2025,27, 889-902
https://doi.org/10.1039/D4CE01151A
Harnessing non-covalent interactions in modified thiophenes: structural design and applications in materials and biological sciences
This highlight explores the key role of thiophene-based compounds in organic electronics, sensors, medicinal chemistry, solid-state reactions, crystal engineering, and supramolecular helices, using X-ray, DFT, and microscopy techniques.
CrystEngComm, 2025,27, 736-748
https://doi.org/10.1039/D4CE01213E
Recent progress of metal–organic framework materials with a benzothiadiazole unit for fluorescence sensing
This highlight aims to showcase the recent progress of benzothiadiazole-based luminescent metal–organic frameworks for the detection of ions, amino acids, volatile organic compounds and drug molecules.
CrystEngComm, 2025,27, 713-728
https://doi.org/10.1039/D4CE01172D

A lot to unpack: a decade in high Z′ crystal structures
Crystal structures that form with more than one molecule in the asymmetric unit (Z′ > 1) are a fascinating and important, if overlooked, aspect of crystal engineering.
CrystEngComm, 2025,27, 578-589
https://doi.org/10.1039/D4CE01186D
Recent advances in molecular mechanisms of gas hydrate growth
This highlight provides an overview of recent advances in molecular mechanisms of gas hydrate growth, and presents the challenges and opportunities currently encountered.
CrystEngComm, 2025,27, 456-467
https://doi.org/10.1039/D4CE01149J
Exploring flexibility in molecular crystals: bending responses to light and mechanical stress
This review aims to elucidate the mechanisms governing the flexibility of crystals that respond to both light and mechanical stimuli.
CrystEngComm, 2025,27, 127-137
https://doi.org/10.1039/D4CE01131G
About this collection
This web collection contains the Highlight articles published in CrystEngComm in 2025.