Themed collection Molecular Crystals: Mechanics and Photonics

Molecular crystals: mechanics and photonics
Focusing on the mechanics and photonics of molecular crystals, Rajadurai Chandrasekar, Panče Naumov, Xue-Dong Wang and Kristin Hutchins introduce a themed collection showcasing a series of articles that delve into their structural properties and broad range of functional applications.
J. Mater. Chem. C, 2025,13, 14098-14100
https://doi.org/10.1039/D5TC90104A

Aggregation-induced new functions: structure–property relationships in molecular crystals
This review shows how molecular aggregation enables emergent photophysics (RTP, radical emission, NIR luminescence, photothermal, X-ray scintillation) unseen in single molecules.
J. Mater. Chem. C, 2025, Advance Article
https://doi.org/10.1039/D5TC02505B
Recent advances in organic stimuli-responsive tunable circularly polarized luminescence materials
This review summarizes the organic stimuli-responsive tunable CPL materials based on various types of stimuli in recent years, focusing on the design principles, performance modulation mechanisms and potential applications.
J. Mater. Chem. C, 2025,13, 12584-12611
https://doi.org/10.1039/D5TC01525A

Ferroelectric polarization in 2D halide hybrid perovskites: influence on bulk crystals, thin films, and applications
Halide hybrid perovskite ferroelectrics can exist in bulk (single- or polycrystalline) and thin-film forms, exhibiting multifunctional properties suitable for applications in energy harvesting, sensing, and memory devices.
J. Mater. Chem. C, 2025,13, 10488-10506
https://doi.org/10.1039/D4TC05289G
Halogen-assisted colour modulation in a flexible copper coordination polymer crystal-based hybrid photonic splitter
Tuning the optical band in flexible nano- and micro-crystalline structures using halogen atoms offers a promising route for fabricating functionally complex soft optical devices.
J. Mater. Chem. C, 2025,13, 14743-14750
https://doi.org/10.1039/D5TC02090E

Tuning thermomechanical properties of hydrogen-bonded materials by using a mixed cocrystal approach
The thermal and thermomechanical behavior of multi-component organic solids is tuned at the molecular level via preparation of mixed cocrystals.
J. Mater. Chem. C, 2025,13, 7918-7923
https://doi.org/10.1039/D5TC00576K
Pure red emitting elastic organic single crystals as flexible optical waveguides and circuits
Pure color red emitting elastically flexible organic crystals with a pyrene core and showcasing active waveguiding properties were designed, and their potential for fabricating reconfigurable photonic integrated circuits was displayed.
J. Mater. Chem. C, 2025,13, 15930-15940
https://doi.org/10.1039/D5TC01123J
Tailored molecular engineering of mesoporous silica for high concentration Er doping and unconventional 1640 nm luminescence
This study presents a novel method for achieving as high as 6.7 wt% Er-doping in mesoporous silica via molecular engineering, yielding a unique 1640 nm photoluminescence, thus suitable for advanced photonic applications.
J. Mater. Chem. C, 2025,13, 15919-15929
https://doi.org/10.1039/D5TC01617G
Solving the cellulose I polymorphic structural riddle: disorder in hydrogen bond networks activates diagnostic terahertz dynamics
Disorder in cellulose hydrogen-bond networks activates distinct terahertz vibrations, enabling direct spectroscopic differentiation of subtle polymorphic structures.
J. Mater. Chem. C, 2025,13, 15328-15337
https://doi.org/10.1039/D5TC01544H

Metallophilicity-assisted piezochromism in a rhodium(I) dicarbonyl Schiff-base complex: structural, energetic, electronic and spectroscopic investigations under high pressure
High-pressure structural, spectroscopic and theoretical investigations towards understanding piezochromism of square-planar rhodium(I) dicarbonyl complexes exhibiting metallophilic interactions in a crystal are reported.
J. Mater. Chem. C, 2025,13, 15634-15644
https://doi.org/10.1039/D5TC00925A
Experimental and theoretical insights into light confinement within 2D waveguides of alkylphenyl benzothiadiazole crystals
In this work, an experimental and theoretical investigation was carried out to explore the key factors influencing light transmission mechanisms in organic crystalline materials.
J. Mater. Chem. C, 2025, Advance Article
https://doi.org/10.1039/D5TC01924A
Crystalline organic thin films for crystalline OLEDs (III): weak epitaxy growth of phenanthroimidazole derivatives with a dual inducing layer
Using a dual inducing layer is a novel strategy for growing high-quality crystalline thin films via weak epitaxy growth. This work shows that a designed dual inducing layer can address critical hole injection challenges in crystalline OLEDs.
J. Mater. Chem. C, 2025,13, 14825-14831
https://doi.org/10.1039/D5TC01750E
Dibenzothiophene sulfone-based n-type emissive organic semiconductor
We designed and synthesized an n-type luminescent organic semiconductor, DPIDBSO. The symmetric silver electrode-based DPIDBSO OLET devices showed obvious n-type electroluminescence with a stationary emission zone.
J. Mater. Chem. C, 2025,13, 13448-13453
https://doi.org/10.1039/D5TC00969C
Photo-switching in multi-stimuli-responsive low Z′-high Z′ co-crystal polymorphs
Unique photo-switching in unusual low Z′-high Z′ co-crystal polymorphs is reported and studied to understand structure–property correlations through multi-stimuli-responsive and diffraction studies.
J. Mater. Chem. C, 2025,13, 11661-11670
https://doi.org/10.1039/D5TC00492F
High-throughput growth of organic scintillating single crystal fibers for neutron/gamma pulse shape discrimination
A mold-embedded growth method is presented for the batch production of organic scintillating single crystal fibers (SCFs). These SCFs can be integrated into a pixelated scintillator array, showing high performance in neutron detection.
J. Mater. Chem. C, 2025,13, 11460-11466
https://doi.org/10.1039/D5TC00844A

Stimuli responsive behavior in a D–A–D organic fluorophore: the role of cold crystallization
DTBTE is a new fluorophore that exhibits luminescence changes due to transitions between crystalline and amorphous states. The combination of DFT calculations, X-ray analysis and advanced spectroscopy provided insights into this transformation.
J. Mater. Chem. C, 2025,13, 11052-11059
https://doi.org/10.1039/D5TC00852B
Passivation of defects by tetrafluoroterephthalonitrile introduced into MAPbI3 for high-performance perovskite photodetectors
Methylammonium lead iodide is widely used in the preparation of photodetectors because of its excellent photovoltaic properties.
J. Mater. Chem. C, 2025,13, 10714-10723
https://doi.org/10.1039/D5TC01086A
Single crystal Cr3+-doped NIR phosphor: enhanced luminescence intensity and improved thermal stability
Large-sized Cr3+-doped single crystal phosphors with enhanced near-infrared luminescence intensity and improved thermal stability relative to polycrystalline powders are successfully prepared via a room-temperature solvent exchange method.
J. Mater. Chem. C, 2025,13, 10882-10890
https://doi.org/10.1039/D5TC01433F
Hybrid CsPbBr3 superlattice/Ag microcavity enabling strong exciton–photon coupling for low-threshold continuous-wave pumped polariton lasing
We demonstrate a hybrid microcavity integrating a CsPbBr3 superlattice with a thin Ag film to greatly enhance exciton–photon coupling and achieve continuous-wave-pumped polariton lasing with a low threshold of ∼220 W cm−2.
J. Mater. Chem. C, 2025,13, 10724-10732
https://doi.org/10.1039/D5TC00226E
Odd–even effect controls twist-elasticity of an organic fluorophore in cocrystals prepared using mechanochemistry
Cocrystallization of odd–even aliphatic dicarboxylic acids with an organic fluorophore induces twist-elasticity, thus resulting odd–even effect in solid-state fluorescence as well as nanomechanical properties.
J. Mater. Chem. C, 2025,13, 10769-10779
https://doi.org/10.1039/D5TC00313J
Balancing the molecular twist and conformational rigidity in imidazo[1,2-a]pyridines to achieve dual-state emissive (DSE) luminogens for applications in OLEDs and cell-imaging
An effective design strategy for creating imidazo[1,2-a]pyridine-derived luminogens is proposed, offering a dependable avenue for building TADF-DSE materials for applications in OLEDs and cell imaging.
J. Mater. Chem. C, 2025,13, 10576-10591
https://doi.org/10.1039/D5TC01128K
Polymorphism-induced multi-functional crystal photonics achieved by a highly luminescent benzofuranyl molecule having a tetrafluorophenylene core
Beyond just finding different optical “characteristics”, we found “specific functions” for each polymorph due to the rational design of a polymorphic and highly luminescent compound.
J. Mater. Chem. C, 2025,13, 10944-10953
https://doi.org/10.1039/D5TC00817D
Intricate carrier dynamics of bismuth halide perovskites: localized excitons and polarons
The interaction between carriers and photons in halide perovskites gives rise to intriguing phenomena in their excited states.
J. Mater. Chem. C, 2025,13, 10119-10129
https://doi.org/10.1039/D5TC00498E
Efficient near-infrared luminescence in a Na2CaTi2Ge3O12:Cr3+ garnet for light-emitting-diode applications
An efficient broadband near-infrared Na2CaTi2Ge3O12:Cr3+ garnet phosphor with cationic disorder and charge self-balance achieves a high performance in near-infrared imaging.
J. Mater. Chem. C, 2025,13, 10390-10398
https://doi.org/10.1039/D5TC01230A
Efficiency optimization of BaY2Al2−yScyGa2SiO12:xCr3+ garnet phosphors with sustained anti-thermal quenching behavior
Systematic substitution of Al3+ with Sc3+ modulates the crystal field environment around Cr3+, leading to enhanced luminescence efficiency while preserving anti-thermal quenching behavior at elevated temperatures.
J. Mater. Chem. C, 2025,13, 10271-10281
https://doi.org/10.1039/D5TC00698H

Impact of crystallinity and local disorder on the luminescence properties of solvothermally synthesized LuPO4:Pr3+ nanocrystals
Annealing LuPO4:Pr3+ nanocrystals reduces local disorder and structural imperfections, enabling efficient energy transfer under deep high-energy excitation (45 eV photons), thereby enhancing UV-C luminescence for potential use in radiotherapy.
J. Mater. Chem. C, 2025,13, 10139-10151
https://doi.org/10.1039/D5TC00391A
Large magnetoresistance and thermoelectric properties of a quasi-skutterudite Ca3Pt4Sn13 single crystal
We conducted a detailed study of the quasi-skutterudite Ca3Pt4Sn13 single crystal through measurements of electrical resistivity, Hall effect, specific heat, and thermoelectric properties.
J. Mater. Chem. C, 2025,13, 10205-10211
https://doi.org/10.1039/D4TC04812A
Molecularly thin organic single-crystalline p–n heterojunctions by interfacial heteroepitaxy for high-performance polarization-sensitive photodetectors
An interfacial heteroepitaxy strategy was developed to fabricate molecularly thin, single-crystalline p–n heterojunctions with precise orientation control and their polarization-sensitive photodetection capabilities were explored.
J. Mater. Chem. C, 2025,13, 9536-9544
https://doi.org/10.1039/D5TC00456J
2D elastic fluorinated donor–acceptor type π-conjugated molecular crystals and their optical crystal–polymer hybrid films
We designed 2D elastic crystals based on asymmetric fluorinated donor–acceptor–donor molecular structures for hybridization with polyimide films, achieving 3D active optical waveguide properties.
J. Mater. Chem. C, 2025,13, 9527-9535
https://doi.org/10.1039/D5TC00790A

Flexible organic–inorganic hybrid crystals of tin(IV) chloride and naphthalenediimide: exploring elasticity, mechanochromism, and photothermal conversion
OIMHs incorporating NDI cations exhibit flexible deformation under stress and function as mechanochromic and photothermal conversion materials, demonstrating their soft and multifunctional nature.
J. Mater. Chem. C, 2025,13, 8470-8478
https://doi.org/10.1039/D5TC00891C
Simultaneous adjustment of afterglow wavelength and intensity in indium-substituted Ga1.99−xInxO3:0.01Cr3+
Replacing gallium with indium in the crystal structure of Ga2O3:Cr3+ redshifts the emission wavelength to 830 nm and induces persistent luminescence.
J. Mater. Chem. C, 2025,13, 8113-8119
https://doi.org/10.1039/D4TC05353B

Enhancing optoelectronic performance of organic phototransistors through surface doping of tetra-bromo perylene diimide single crystals
A novel chiral organic semiconductor (S)-4Br-PDI-Ph was synthesized and self-assembled into single-crystalline nanowires. Aniline surface vapor doping markedly improved their optoelectronic performance in phototransistors.
J. Mater. Chem. C, 2025,13, 8077-8083
https://doi.org/10.1039/D5TC00361J
Chiral hybrid manganese(II) chloride single crystals for achieving second harmonic generation and moderate circularly polarized luminescence
Heated (R/S-2-mpip)MnCl4·2H2O exhibited obvious the circular dichroism and circularly polarized luminescence.
J. Mater. Chem. C, 2025,13, 8238-8246
https://doi.org/10.1039/D5TC00279F
Sustained acid release from stimuli responsive organic crystals facilitates shape modulation in metal nanoparticle synthesis
Stimuli responsive fluorescent materials play an essential role in smart material engineering. We designed molecules that exhibited stimuli responsive luminescence and gradual proton release for the synthesis and passivation of metal nanoparticles.
J. Mater. Chem. C, 2025,13, 7093-7101
https://doi.org/10.1039/D5TC00047E
Flexible organic crystal-quantum dot hybrids with adjustable waveguides
Organic crystals integrate multicolor emissions from semiconductor quantum dots via a modular assembly approach. This modular strategy merges the advantages of quantum dots and organic crystals for versatile photonics.
J. Mater. Chem. C, 2025,13, 6547-6555
https://doi.org/10.1039/D5TC00112A

Tetrabromobenzene-based molecular alloys – a tool for tailoring the temperature of the thermosalient phase transition
The temperature of the thermosalient phase transition can be tuned within a range of 15 °C by varying the TBB content by 8% in the molecular TBB–TCB alloys.
J. Mater. Chem. C, 2025,13, 6539-6546
https://doi.org/10.1039/D4TC04615C

Intramolecular through-space versus through-bond charge transfer in new donor-carbazole-acceptor type luminophores
New donor-carbazole-acceptor derivatives can exhibit fluorescence in the blue–orange spectral range. The observed emission suggests the involvement of through bond and through space charge transfers.
J. Mater. Chem. C, 2025,13, 6195-6206
https://doi.org/10.1039/D4TC04884A

The impact of dihedral angle in aryl groups on the photocyclization reactivity of inverse-type diarylethenes
Photocyclization reactivity of inverse-type diarylethenes strongly depends on the dihedral angle in aryl groups. Especially, the photocyclization reaction in crystal requires a dihedral angle between the thiophene and phenyl rings greater than 81°.
J. Mater. Chem. C, 2025,13, 5259-5267
https://doi.org/10.1039/D4TC04853A
About this collection
This special collection investigates the extraordinary properties of molecular crystals and their essential role in the management of mechanical and optical energy. It showcases their diverse applications in contemporary scientific and technological domains, such as non-linear optics, sensor technologies, switchable devices, and sophisticated photonic components and circuits.
This collection is guest edited by Prof. Rajadurai Chandrasekar (University of Hyderabad, India),Prof. Panče Naumov(New York University Abu Dhabi), Prof. Xue-Dong Wang(Soochow University),Prof. Kristin Hutchins(University of Missouri).
We hope you enjoy reading about the latest developments in molecular crystals in Journal of Materials Chemistry C.