Themed collection CrystEngComm HOT articles

Zinc sulfide: from supertetrahedral atomically precise clusters to quantum dots
Zinc sulfide clusters Zn10 with T3 symmetry and Zn8 with P1 symmetry are compared with zinc sulfide quantum dots from structures and properties views, which offer new insights for zinc sulfide material advancements.
CrystEngComm, 2024,26, 6378-6391
https://doi.org/10.1039/D4CE00731J

Dynamic metal–ligand bonds in MFM-300: the use of semi-open metal sites to “teach an old dog new tricks”
This highlight aims to showcase the current advances in semi-open metal sites inherent to MFM-300(Sc) and MFM-300(In) to inspire new investigations to be carried out to develop new applications of this promising family of MOF materials.
CrystEngComm, 2024,26, 6100-6107
https://doi.org/10.1039/D4CE00865K

Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units
A new rare-earth oxychalcogenide Eu2ZnGe2OS6 with mixed-anion [GeOS3] units was successfully designed, synthesized, and investigated as an infrared nonlinear optical crystal.
CrystEngComm, 2024,26, 6683-6687
https://doi.org/10.1039/D4CE01051E
Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly
Chiral luminescent lanthanide polymers R/S-Ln-phen (Ln = Eu/Tb) featuring helical structures display larger glum (4.0 × 10−3 for Eu, 1.2 × 10−3 for Tb) and higher Φlum (86.88% for Eu, 88.93% for Tb) values.
CrystEngComm, 2024,26, 6676-6682
https://doi.org/10.1039/D4CE00957F
A new salt-inclusion compound CsCl·(VOSe2O5)4 showing nearly isolated spin-1/2 chain structure with a typical square lattice
A new salt-compound CsCl·(VOSe2O5)4 features a spin-1/2 chain structure with a square lattice, showing paramagnetic behaviors.
CrystEngComm, 2024,26, 6392-6395
https://doi.org/10.1039/D4CE00936C

Structural transformation of silver(I)–thiolate coordination polymer film at solid–liquid interfaces
Ligand exchange-induced structural transformation of silver–thiolate coordination polymers on a substrate.
CrystEngComm, 2024,26, 6269-6273
https://doi.org/10.1039/D4CE01023J
Surface functionalized chalcogenides for highly selective removal of Hg2+
Surface functionalized CuPMTT was synthesized for highly selective adsorption of Hg2+.
CrystEngComm, 2024,26, 6255-6259
https://doi.org/10.1039/D4CE00923A

Robust and efficient reranking in crystal structure prediction: a data driven method for real-life molecules
We present a novel machine learning crystal structure prediction reranking algorithm and demonstrate its robustness across pharmaceutical molecules.
CrystEngComm, 2024,26, 5845-5849
https://doi.org/10.1039/D4CE00752B
Organic–inorganic hybrid Co-containing polyoxotungstate as an oxygen evolution catalyst
Herein, cobalt is incorporated into a polyoxotungstate (POW) to obtain a new organic–inorganic hybrid Co-containing POW with a reliable 1D nanowire structure.
CrystEngComm, 2024,26, 5840-5844
https://doi.org/10.1039/D4CE00873A
Template-directed crystallization of carbamazepine form II from palmitic acid melt – a key to understand mechanically-induced polymorphism of carbamazepine
The metastable polymorph of carbamazepine (form II) could be obtained as thin needle crystals during template-induced recrystallization from a carbamazepine (stable form III) crystal in the palmitic acid melt.
CrystEngComm, 2024,26, 6796-6804
https://doi.org/10.1039/D4CE00906A
Ni–MoO2 heterostructure encapsulated in mesoporous silica microtubes: a structured hydrogenation catalyst with enhanced activity for reduction of 4-nitrophenol
Here we present a simple approach for the synthesis of Ni–MoO2@mSiO2 microtubes, which exhibited outstanding activity and stability in the reduction of 4-nitrophenol.
CrystEngComm, 2024,26, 6813-6822
https://doi.org/10.1039/D4CE01044B
Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylcalix[4]arene tetranuclear clusters and triazine linkers
Two isostructural nanosized coordination cages based on the use of sulfonylcalix[4]arene and triazine derivatives are described thoroughly from a structural point of view, and their sorption properties were measured.
CrystEngComm, 2024,26, 6789-6795
https://doi.org/10.1039/D4CE00964A
Ambient-stable and lead-free Cs3Bi2I9−xBrx (0 ≤ x ≤ 9) perovskite films for memristor devices
In this work, we prepared lead-free Cs3Bi2I9−xBrx (x = 0, 1, 2, 3, 6, and 9) thin films using a green anti-solvent method under air conditions and used them to fabricate memristors with an Al/Cs3Bi2I9−xBrx/ITO structure.
CrystEngComm, 2024,26, 6545-6552
https://doi.org/10.1039/D4CE00933A
Sn3S4: a new mixed-valence tin sulfide
A new member of the family of tin chalcogenides has been synthesized and crystallized, and its structure was determined by single-crystal X-ray analysis. Sn3S4 is a mixed-valence compound with regular Fdm space group symmetry.
CrystEngComm, 2024,26, 6553-6561
https://doi.org/10.1039/D4CE00629A
Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials
Redox-active tetraoxolene ligands give rise to materials with unusual electronic and magnetic properties. Here, we show how solvent and oxidant choice enable structural and morphological control of tetraoxolene-based coordination networks.
CrystEngComm, 2024,26, 6396-6402
https://doi.org/10.1039/D4CE00921E
When topology meets geometry: topological motifs and uniformity of atomic sublattices in inorganic crystals
We have analyzed topological motifs of whole crystal structures and non-metal sublattices in 3514 borides, carbides, nitrides and silicides of metals. We propose an integral criterion for the evaluation of the sublattice distortion and uniformity.
CrystEngComm, 2024,26, 6410-6419
https://doi.org/10.1039/D4CE01009D
Lamellar conducting channels constructed by lyotropic liquid crystals as quasi-solid-state electrolytes toward dye-sensitized solar cells
A lyotropic liquid crystal electrolyte (Brij58-LLCn) was developed for dye-sensitized solar cells (DSSCs). Brij58-LLC50 achieved stable and efficient DSSC performance by forming layered channels that boost charge transfer.
CrystEngComm, 2024,26, 6403-6409
https://doi.org/10.1039/D4CE00724G
Porphyrin MOF nanosheets used for light-mediated multilevel memristive switching
The synthesized porphyrin MOF nanosheets were used to fabricate memory devices, and the light-induced resistive switching characteristics of the devices were explored.
CrystEngComm, 2024,26, 6314-6321
https://doi.org/10.1039/D4CE00889H
Machine learning assisted calibration of PVT simulations for SiC crystal growth
In this study, machine learning models were successfully applied as substitutes for the computationally expensive numerical PVT simulation, enabling calibration as well as in-depth investigations, including sensitivity and uncertainty analysis.
CrystEngComm, 2024,26, 6322-6335
https://doi.org/10.1039/D4CE00866A
Multimode crawling motions of azobenzene crystal induced by light intensities for application as a shape-changeable microcleaner
Photoinduced crawling crystals can change their shape and velocity in response to irradiation intensity. By utilizing a sequence of different irradiation conditions, these changes can be used to improve cargo transport functionality.
CrystEngComm, 2024,26, 6274-6281
https://doi.org/10.1039/D4CE00827H
Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent
MOF-74 is well known for its defined cellular pores. The structure of these pores can be relatively simply modified via changing solvents (e.g., THF) where the MOF is forming.
CrystEngComm, 2024,26, 6161-6171
https://doi.org/10.1039/D4CE00905C
Effects of the recognition sites of MOFs on turn-off fluorescence detection of Fe3+
Two Cd(II) coordination polymers are designed to investigate the effect of recognition sites on turn off fluorescence detection of Fe3+.
CrystEngComm, 2024,26, 6126-6133
https://doi.org/10.1039/D4CE00899E
Impurity-induced acceleration of polymorphic conversion via crystalline solid solutions and the T–X phase diagrams of salicylic acid and 3-hydroxybenzoic acid
Binary T–X phase diagrams of salicylic acid and two monotropic polymorphs of 3-hydroxybenzoic acid showing divergence in thermodynamic stability leading to acceleration of polymorphic conversions.
CrystEngComm, 2024,26, 6108-6125
https://doi.org/10.1039/D4CE00784K

Unravelling the hierarchical structure of saturated monoacid triglycerides during crystallization – a comprehensive time-resolved X-ray scattering study
Time-resolved multiscale analysis of triglycerides during crystallization.
CrystEngComm, 2024,26, 6143-6154
https://doi.org/10.1039/D4CE00800F
A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties
Four polyoxometalates were synthesized under hydrothermal conditions. They have excellent electrochemical properties and photocatalytic performance. The photoelectrodes prepared from them exhibit photoelectrocatalytic performance.
CrystEngComm, 2024,26, 6155-6160
https://doi.org/10.1039/D4CE00897A
Controllable assembly over two CoII-based coordination polymers: structures and catalytic properties towards the alkene oxyalkylation reaction
Two Co-CPs involving new 4-TMTBT ligands have been controllably synthesized and structurally characterized. Co-CP-2 with a (3,7)-connected topology net exhibits excellent catalytic activities for the alkene oxyalkylation reaction.
CrystEngComm, 2024,26, 6134-6142
https://doi.org/10.1039/D4CE00857J

Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles
The structures and photoinduced radical (PIR) percentages of two crystalline solvates of unsubstituted triphenylamine bis-urea macrocycles are compared. Upon activation, both afford similar structures with higher PIR %.
CrystEngComm, 2024,26, 6025-6033
https://doi.org/10.1039/D4CE00839A
Crystal growth, dislocation, thermodynamic and optical properties, and electronic structure of Mg2SiO4 single crystals
Summary of the author's work on the Mg2SiO4 single crystals in this paper.
CrystEngComm, 2024,26, 6034-6044
https://doi.org/10.1039/D4CE00707G
Self-assembly of Cu-glutathione nanoparticles on WO3 nanorods: amelioration of charge transfer and photocatalytic performance
Under visible light irradiation, the Cu GSH/WO3 photocatalyst demonstrated excellent degradation performance for organic pollutants, achieving the degradation of 99.8% of Rh B and 98.6% of TC within 60 minutes.
CrystEngComm, 2024,26, 5734-5745
https://doi.org/10.1039/D4CE00852A
About this collection
This collection represents the top 10% of research published in CrystEngComm each quarter. Featured articles are marked as HOT by the handling editor or as recommended by referees. Congratulations to all the authors whose articles are featured.