Themed collection 2025 Highlight article collection

Dynamic molecular crystals exhibit multiple responses besides photomechanical motions, which are suitable for future multitasking actuation and switches under various conditions.

Fabrication of nanocrystal thin films through wet chemical processes and their resulting functional properties are explored. Special attention is given to the dimensionality of pre-formed nanocrystals spanning 0D, 1D and 2D, and its influence on the resulting films.

The solid form of an API depends on its thermodynamic stability and kinetic persistence. It is therefore important to understand its phase behaviour symbolised by the ternary phase diagram, but also the kinetics of possible phase transformations.

The two-electron multicentre (2e/mc) bond or pancake bond, a weak π-bond occurring between planar π-based organic radicals, is described and discussed.

We show that analysis including first-order thermal diffuse scattering (TDS) improves the accuracy of atomic displacement parameters (ADPs) of Al and Ag₈SnSe₆ determined by Rietveld analysis.

Many copper chalcogenides disobey oxidation state formalism and demonstrate p-type conductivity and Pauli paramagnetism despite covalent bonding. Crystal structures and electronic features of these compounds are analyzed.

The quantitative analyses of molecular mutual positions in a range of brickwork crystal structures of methylchalocogenolated (hetero)arenes gave us a hint to understand the key features of the system for designing better molecular semiconductors and the crystal structures.

This highlight provides an overview of the research progress in photonic crystal microparticles with multiple stopbands.

The GaN/TiO₂ heterostructure can enhance the separation efficiency of photogenerated charge. The doping of In improves the transfer ability of photogenerated charge. So, GaN/In-TiO₂ shows increased PEC properties compared with GaN/u-TiO₂.

The subcomponent self-assembly approach for molecular cages had been summarized. Mass spectrometry technology is promising for analyzing the solution behavior and monitoring the formation process of such sophisticated aggregations.

This review highlights structural engineering advances in POMs/zeolite and POMs/silica composites, including synthesis methods (in situ encapsulation, impregnation, sol–gel, and surface functionalization) and several representative composites.

Metal–organic frameworks (MOFs) are hybrid organic–inorganic porous materials composed of metal cations and polydentate organic ligands, forming high porosity and surface areas modular architectures, which could be applied for hydrogen technologies.

MOFs enhance biomedical test strips with high sensitivity, selectivity, and eco-friendliness via porous, tunable structures. Their luminescent and catalytic properties enable precise biomarker detection, advancing rapid and reliable point-of-care diagnostics.

This highlight article presents surface-engineered ceria additives for fuel cells to mitigate radical-induced degradation and improve durability.

Can computational spectroscopy predict the crystal structure of experimentally challenging systems?

Three growth methods for large organic semiconductors are summarized, characterization methods and applications in long persistent luminescence, nonlinear optics, and X-ray imaging.

Recent advancements of mononuclear dysprosium-based single-molecule magnets, and the strategies to said advancements, are highlighted within this article.

This review focuses on the multifaceted mechanisms of ionic liquids in protein crystallization and systematically summarizes the research progress in this field in recent years.

We highlight that the intrinsic electrical conductivity of MOFs with identical metal–ligand combinations follows the order 1D > 2D > 3D. This will lead to the formation of new 1D MOFs that can surpass the conductivity of 2D MOFs.

Summarizing the strategies for enhancing EQE and T₅₀ of high-performance perovskite LEDs.

Summary of a variety of characterization techniques to research into the coking behaviour of zeolites, covering the origins, formation processes, types of cokes and their effects on zeolites.

This highlight explores the diverse applications of AIE-MOF/COF materials, particularly in optoelectronic devices, sensing, biomedicine, and catalysis, with a focus on recent advancements in luminescence properties and multifunctional applications.

Metal halide double perovskites offer structural tunability, low toxicity, and promising optoelectronic properties. This review summarizes recent advances and key challenges in their design, carrier dynamics, and device applications.

Thin-film growth in II–IV semiconductors: a review based on atomistic simulations.

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. Graphical abstract image generated with AI.

This review explores the synthesis, properties, and applications of Nb-based MXenes in energy storage, electrocatalysis, hydrogen evolution, EMI shielding, sensing, and biomedicine.

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.

Invisible luminescence materials have attracted considerable attention due to their versatile applications in sterilization, photocatalysis, plant growth, night vision, and laser technology.

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.

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.

Thiazolothiazole-based MOFs offer a versatile platform for multifunctionality. This highlight reviews ligand design, synthesis methods, applications, challenges, and future trends.

Phase selection, and thus porosity, in aluminiumsilicate zeolites is driven by competition between water and framework elements to coordinate with extra-framework cations.

Crystal habit modification of salt crystals has been a fascinating area of research for decades.

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.

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.

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.

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.

Factors influencing Keggin polyoxometalate species interaction with small peptide molecules have been summarized providing models for investigation of mineral nanoparticle–protein interactions.

Highlighting MOF-based materials for efficient electrocatalytic urea synthesis.

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.

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.

Crystal structures of extended aromatic hydrocarbons are systematically classified starting from the orientation of the non-parallel interaction.

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.

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.

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.

This highlight provides an overview of recent advances in molecular mechanisms of gas hydrate growth, and presents the challenges and opportunities currently encountered.

This review aims to elucidate the mechanisms governing the flexibility of crystals that respond to both light and mechanical stimuli.