CrystEngComm

Article	Citations
Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites	83
Contents list	72
Attention-driven deep neural network for impurity concentration prediction in AlN via absorption spectroscopy	53
Crystal structure of febuxostat marketed polymorph determined by electron diffraction and reinforced by X-ray crystallography	44
Contents list	41
Crystal/magnetic structure and cation inversion in hydrothermally synthesized MnFe 2 O 4 , CoFe	39
Back cover	38
Study on power consumption and heat transfer paths in Czochralski silicon crystal growth based on global 3D numerical simulation	33
Optimized sample-loading method for SERS detection of crystal violet on Ag/ZnO powder: towards rapid and ultrasensitive detection of water contaminants	32
New layered nonlinear optical iodate Cs 3 Ta(IO 3 ) 8	31
Synthesis of highly regular dandelion-like hydroxyapatite particles—a Taguchi experimental design approach	30
Contents list	29
Controlling the reduction rate and oxidative etching for high yield green synthesis of palladium nanorods in segmented millifluidic flow reactors (SMFRs)	29
Back cover	29
Contents list	28
Complete structural and electronic comparison of chiral and racemic ketohexoses: hydrogen-bond network topology and interaction strength distribution	28
Exploration of the dynamic equilibrium between the rare earth ion location within a RE-NaY zeolite and the FCC carbon deposition precursor	28
Back cover	28
Na 3 (VO)(PO 4 )(CO 3 ): a synthetic member of	27
Bright electrospun white Y 2 Zr 2 O 7 :Tm	27
Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu( ii ) complexes with 1,2-di(4-pyridyl)ethane synthesized under different co	26
Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions	26
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts	25
A superelastic and ultralight graphene aerogel with a hydrophobic honeycombed structure for efficient absorption of hazardous organics	25
Synthesis of Co 3 O 4 /Fe 2 O	25

Back cover	25
Back cover	24
Robust and durable Li-ion batteries fabricated using lead-free crystalline M 2 NiMnO 6 (where M =	24
Contents list	24
Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites	24
Tuning the heterophase junction in Bi 2 O 3 hybrid crystals with enhanced photocatalytic activity	24
Front cover	23
Top-seeded solution growth, spectral analysis and laser properties of a novel Nd-doped Bi 2 Mo 2.66	23
Visual sensing Ni 2+ in real samples with test paper based on a new dinuclear terbium complex	23
Growth of single-crystalline SrNbO 2 N micron particles and assembling of particulate photoanodes	23
Strong halogen bonds with guest molecules in a Co( ii ) 2,5-diiodoterephthalate metal–organic framework	23
Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors	23
The odd–even effect in n -carboxyalkylammonium-containing organic–inorganic hybrids of Mn( ii ) halide	23
Contents list	22
Controllable design of a macroporous PBA as an efficient non-enzymatic electrochemical sensor for glucose detection	22
Investigation of phosphoric acid-catalyzed silver-assisted chemical etching for upgrading metallurgical grade silicon to solar grade silicon	22
Crystal growth, dislocation, thermodynamic and optical properties, and electronic structure of Mg 2 SiO 4	22
Efficient electrocatalysts for biomass quasi-solid-state Li–O 2 batteries: porous nanocages with nickel–cobalt-N/C active species	22
Regulation of calcium phosphate phase transition kinetics in aqueous solution via additives	22
Second-harmonic generation in two hybrid organic–inorganic metal chlorides based on l -thioproline ligand	22
Construction of mesoporous S-doped Co 3 O 4 with abundant oxygen vacancies as an efficient activat	21
Phosphorylated amelogenin N-terminal peptides regulate calcite crystal cluster formation in a water–acetonitrile system	21
Structural chemistry of decalins and perfluorodecalins	21
Contents list	21
The effect of n -butanol on regulating the solubility–temperature characteristics for the growth of high-quality CsPbBr 3	21
MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis	21
Which nets are the most common? Reticular chemistry and information entropy	21
Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries	21
Effects of bias voltage on microstructure and properties of vanadium dioxide films deposited by DC magnetron sputtering	20
Mutual polymorphic transformation of CsMgPO 4 ·6H 2 O induced by solution pH	20
Front cover	20
Palladium( ii ) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding	20
Back cover	20
Rock-salt Ti 1− x O → rutile TiO	20
Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities	19
Controlled microcrystallization for in situ photocrystallography: optimizing crystal size and habit	19
Determination of the crystallographic orientation of organic crystal facets with angle-resolved polarised Raman spectroscopy	19
Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers	19
Effect of molar ratios on formation, dissolution and physical stability of co-amorphous naringenin–meglumine by integrating theoretical–modeling–experimental techniques	19
Front cover	19
Back cover	19
Back cover	19
Using the nature of the achiral solvent to orient chiral resolution	19
Ultralow thermal conductivity and high thermoelectric performance induced by multiscale lattice defects in Cu-doped BST alloys	18
Harnessing flow and microfluidics to direct inorganic crystal growth and architecture	18
Influence of Na + on vaterite formation, content and yield using steamed ammonia liquid waste as a calcium source	18
Strongly confined blue-emitting CsPbI 3 quantum dots synthesized using a green solvent: dihydrolevoglucosenone (Cyrene)	18
Developing a model-driven workflow for the digital design of small-scale batch cooling crystallisation with the antiviral lamivudine	18
Why does the niclosamide drug form solvates or hydrates?	18
Recent progress in perovskite light-emitting diodes with high external quantum efficiency and stability	18

Flexible hybrid capacitors based on NiMoS@NiCo-LDH composites under variable work conditions	18
Revealing the influence of Fe substitution on the structural and magnetic features of orthomanganite DyMn 2 O 5	18
The growth of Cs 3 Cu 2 Br 5 and CsCu	18
Fe 3 GaTe 2 /MoSe 2 ferromagnet/semiconductor 2	18
Tailoring non-stoichiometric spinel Mn 0.5 Co 2.5 O 4	17
Positional isomerism and short hydrogen bonds govern photochromic behaviour in dipyridyl-NDI⋯formic acid co-crystals	17
Percolation threshold in annealed ultrathin SiO x films by 2D Monte Carlo simulations	17
Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu 2	17
Cyclam(OH) 4 as an adaptable co-former for co-crystals with carboxylic acids and phenols	17
Hydrazine hydrate-mediated morphology tuning of V 2 O 5 : from aggregated and rod-like to disperse	17
Selective and efficient detection of Pb 2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric a	17
Role of liquid water distribution in MgO hydroxylation	17
R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4- c	17
Structural analysis of anti-retroviral drug raltegravir and its potential impurity C: investigation of solubility and stability	17
Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue	17
Heating enables solid-state motion and improves the yield of a [2 + 2] cycloaddition reaction within an organic cocrystal	17
Effect of different defect dipoles on the polarization mechanism of Nb-doped SrTiO 3 single crystals	17
Front cover	16
Ionization treatment of pyrazolo[4,3- c ]pyrazole derivatives to achieve the low sensitivity of high-energy materials	16
Contents list	16
Front cover	16
Effect of accumulated strain on fat bloom in CBS-based compound chocolates	16
Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir	16
3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1 H -pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material	16
Solvent-free modafinil acid cocrystallization through a green melt-based approach	16
Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases	16
Sn 3 S 4 : a new mixed-valence tin sulfide	16
X-ray absorption spectroscopy for lattice-matched and strain-relaxed GaAsPBi epi-layers on GaAs (001) substrates	16
Comparative study on substrate quality of laser slicing and wire saw slicing for SiC wafers	16
Vacuum-sintered Al 2 O 3 :Cr 3+ transparent cer	16
Exploring the supramolecular profile of 5-phenylhydantoins	16
Advances in the fabrication of multiple stopband photonic crystal microparticles	16
Microscopic kinetic model of gas hydrate and the effect of brine: a case study of natural gas hydrate from the seabed off the Tokachi coast	15
Back cover	15
Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs	15
Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior	15
Investigation of the diffusion and crystal growth of CdZnTe in Te solution using the traveling heater method under axial static magnetic field	15
Contents list	15
3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite	15
Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies	15
Liquid–liquid phase separation into reactant-rich precursors during mineral crystallization	15
Contents list	15
The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals	15
High-level anti-counterfeiting using a Dy 3+ single-activated germanate afterglow phosphor with color-tunable luminescence and multi-mode reading	15
Bimetallic Pt–M (M = Fe, Co, Ni) nanobunches composed of ultrathin nanowires with strong synergy and rich surface defects for enhanced methanol oxidation electrocatalysis	15
Schottky heterogeneous interface design of Ti 3 C 2 /Bi 4	15
Coordination polymers and supramolecular cages based on [(MS 4 )Cu x	15
Systematic workflow for crystallization process design for a polymorphic system: an experimental case study of imatinib mesylate	15
Red luminescent helical ribbons based on a non-polar charge-transfer complex	15
Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology	15
Construction of covalent organic frameworks from nanospheres for Cu 2+ detection	15
Numerical investigation of temperature field and thermal stress of β-Ga 2 O 3 crystal by dual heat	15
Multiple synthesis routes for atomically precise noble metal nanoclusters	15
Seeking new polymorphs in pharmaceutical cocrystals: focus on furosemide–ethenzamide	15
Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers	14
Inside front cover	14
Contents list	14
First-principles study on the structure and stability of defect complexes and clusters in nitrogen-doped Czochralski silicon	14
Inside front cover	14
Investigation of the formation mechanism and control technology of small-sized structure defects in CdZnTe single crystals grown by the VGF method	14
Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO	14
Composition modulation of a hematite photoanode for highly efficient photoelectrochemical water oxidation	14
Mimic uracil–uracil base pairing: self-assembly and single crystal structure	14
Spontaneous resolution of RS -fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via	14
Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth( iii ) halides	14
Front cover	14
Luminescence and magnetic properties of mononuclear Ln( iii ) complexes using an N1-substituted 1,2,3-triazole ligand	14
MOF-on-MOF heterostructures with core–shell and core–satellite structures via controllable nucleation of guest MOFs	14
Cr-doped Al 2 O 3 –YAG binary and Al 2 O	14
NIR laser irradiation of Er 0.5 Yb 2.5 Al 5 O	14
Effects of excess Te on the optical and electrical properties of Cd 1− x Mg	14
Crystalline thiacalixarene assembly for adsorption ability toward linear and branched C6 alkane vapor isomers	14
Exploration of two highly fluorinated ammonium cations as spacers in low- and mixed dimensional hybrid lead iodide perovskites	14
Contents list	14
ZrN films with low resistivity under different chamber pressures by MOCVD	14
Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines	14
In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid ( ANT–DPA ) co-crystal: explained through relative stability and ch	14
Acoustic shock wave-induced phase transition in indium selenide: tuning band gap energy for solar cell applications	13
Halogen-driven modulation of iridium-functionalized zirconium-based metal–organic frameworks for electrocatalytic oxygen evolution in acidic media	13
Molecular-level insights into small organic molecule dipyrone crystallization by MD-based strategies	13

Retraction: Effect of Ca 2+ doping on the upconversion luminescence properties of NaYF 4 :Yb	13
Front cover	13
Growth and characterization of the β-Ga 2 O 3 (011) plane without line-shaped defects	13
Successive cation and anion exchange strategy towards hierarchical Ni–Co sulfide arrays for high-performance hybrid supercapacitors	13
Three-dimensional modelling of 300 mm Czochralski silicon crystal growth with a transverse magnetic field	13
Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules	13
A beginner's guide to spin crossover	13
MOFs for uranium management: synthesis to data-driven design	13
Effects of substrate orientation and oxygen partial pressure on the growth of Ga 2 O 3 films and t	13
Robustness and stability of the l -carnosine copper( ii ) dimer: changes in the copper coordinatio	13
Contents list	13
Contents list	13
Tuning the d-band states of NiFe-MOFs by combining early and late transition metals for enhanced electrocatalytic oxygen evolution	13
Glycine-mediated structural evolution of ZnO nanoparticles: a robust platform for Congo red mineralization and glucose detection	13
Crystal growth and magnetic properties of hexagonal Ba 4 CuNb 3 O 12	13
Pulsed laser deposition of highly oriented Sb 2 Te 3 and GeTe–Sb 2	13
Insights into the crystal growth of micro–mesoporous Beta zeolites synthesized using a micro-liquid film reactor	13
Mechanistic study on the structure–property relationship of flexible organic crystals	13
Back cover	13
The sensitization effects of Ni 2+ on Ho 3+ 3.9 μm luminescence in PbF 2<	13
Chiral-driven formation of hybrid cyanurates with large birefringence	13
Back cover	13
Mastering interfaces: advances and challenges in controlling protein nucleation	13
Doped TiO 2 -supported IrO 2 electrocatalysts with high activity and durability toward the acidic	13
Supramolecular clusters of imidazolium-based ionic liquids: the effect of the cation–anion structure on crystallization	13
A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe 3+ , ceftriaxone sodium (CRO) and l	13
Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior	13
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions	13
B-site substitution in A 2 BO 4 Ruddlesden–Popper perovskites for enhanced OER and HER in alkaline	12
Nanoflower electrocatalysts derived from mixed metal (Fe/Co/Ni) organic frameworks for the electrochemical oxygen evolution reaction	12
Energy partitioning of pharmaceutical co-crystal structures	12
Surface functionalization of hierarchical BiOBr/ZnWO 4 heterojunctions as visible-light driven photocatalysts	12
Polymorphism phenomenon of the naphthyl-containing N -salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical c	12
More than “just a drop”: the enigmatic role of liquid additives in mechanochemistry	12
Anion driven tetrel bonding dictated supramolecular architectures of lead( ii ) with a zwitterionic form of polydentate N	12
Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines	12
One-step synthesis of CePO 4 nanoparticle-decorated cerium-doped ultralong flexible hydroxyapatite nanofibers	12
High-pressure neutron powder diffraction study of an arsenolite deuterium inclusion compound: structure and formation kinetics	12
Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state	12
Contents list	12
Communication between organic pollutants and metal–organic frameworks using experimental and theoretical studies	12
Preparation, characterization, and evaluation of the co-amorphous systems of dasatinib to improve its pharmaceutical attributes	12
Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association	12
Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium( iii ) complexes based on naphthalen	12
Back cover	12
Synthesis, crystal structures and luminescence properties of Zn( ii ) and Cd( ii ) coordination co	12
Synthesis and characterization of a dual-stimuli-responsive cobalt( iii ) complex: comparison of photo-/thermo-mechanical behaviour in crystal and po	12
Visualizing the alignment of lone pair electrons in La 3 AsS 5 Br 2	12
Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds	12
Efficient quasi-solid-state dye-sensitized solar cells aided by mesoporous TiO 2 beads and a non-volatile gel polymer electrolyte	12
Design of 3D flower-like NiWO 4 /WO 3 heterostructures with excellent trimethylamine sensing perfo	12
Metallic CoNi nanoparticles anchored on heteroatom-doped carbon/MnO nanowires for improved catalytic performance	12
Front cover	12
Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids	12
Adsorption of 5-fluorouracil, an anticancer drug, in faujasite-type zeolites: understanding storage and release with density functional theory calculations	12
What makes brickwork crystal structures favourable? A case study on methylthiolated arenes and heteroarenes for high-mobility molecular semiconductors	12
Solubility of polymorphic glycine in mixed solutions with molecular dynamics simulation and thermodynamic analysis	12
Synergistic electronic interaction in RhCo catalyst regulated by vanadium–molybdenum oxide for enhanced alkaline hydrogen evolution	12
High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride	12
Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts	12
A methyl-driven strategy enhances sensitivity through the modulation of aromaticity	12
Shortening CN⋯Br–C sp 3 halogen bonds via	12
Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration	12
Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain	12
Molecular dynamics insights into the healing mechanism and mechanical recovery of fractured nanoporous gold via cold welding	12
Effects of pressure on GaN growth in a specific warm-wall MOCVD reactor	11
Back cover	11
Local structure regulation and spectroscopy study of blue cubic zirconia	11
Front cover	11
Design and synthesis of copper( ii ) malonates with N,N′-containing linkers	11
New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity	11
Crystal structures of potassium and cesium salts of adenine: the role of alkali cations	11
Kinetics or thermodynamics? Extolling their role to modulate the crystal phases and luminescence of KY 3 F 10	11
Bubble distribution in shaped sapphire grown from molybdenum crucibles using the micro-pulling down technique	11
When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF 4 ]·4H 2	11
Front cover	11
Back cover	11
Synthesis, structure and properties of coordination complexes of tin( ii ) phthalocyanine and naphthalocyanine with transition metal fragments	11
Reaction–diffusion control of calcium carbonate and calcium phosphate crystallization in hydrogels: methods, architectures, and mechanisms	11
Investigation of the I – V characteristics of n + /n ho	11
Molecular beam epitaxy of AlGaN nanowires: source configuration and correlated material properties and device characteristics	11
Highly sensitive KY 3 F 10 :Yb 3+ /Tm	11
Contents list	11
Study on the mechanism of morphology regulation of Pb-based MOFs and catalytic thermal decomposition mechanism of energetic materials	11
Tuning the mechanical properties of dicyanamide-based molecular perovskites	11
Growth of 60 mm-diameter Yb:CNGG single crystals with disordered coordination structure for high-energy laser systems	11
Fabrication of core–shell liquid metal@silica nanoparticles for enhanced mechanical, dielectric and thermal properties of silicone rubber	11
Cellulose-templated Bi 2 SiO 5 nanorods with enhanced UV/vis light utilization efficiency for high	11
CTF stabilizes truncated octahedral Cu 2 O nanocrystals and SnO 2 nanoparticle assisted photocatal	11
Single crystal growth and cold white light application of Dy,Tb:CaWO 4 crystals	11
Contents list	11
Copper( i ) iodide complexes based on [Cu 5 I 7	11
Nanostructured Fe 2 TiO 5 photoanode with enhanced photoelectrochemical water splitting performanc	11
Quasi-static deformation simulations of molecular crystals	11
Self-powered solar-blind photodetectors based on AlN/a-Ga 2 O 3 heterojunctions with a nanocolumna	11