RSC - CrystEngComm latest articles

Behind the scenes of sapphire: influence of titanium doping on bubble distribution and propagation in sapphire grown by micro-pulling-down

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00327C, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Faiza Mokhtari, Abdeldjelil Nehari, Yupei Xing, Zebin Wang, Peng Chen, Nicolas Pruneau, Yannick Guyot, Clothilde Comby-Zerbino, Xiaodong Xu, Kheirreddine Lebbou
Undoped and titanium-doped sapphire (Al₂O₃:Ti³⁺) single-crystal rods were grown using the micro-pulling-down (µ-PD) technique to investigate the effect of Ti incorporation on bubble defect formation. Crystals with Ti concentrations of...
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Room-temperature single-photon emission from III-nitride nanowire quantum dots: towards realization of the photonic qubit-based quantum computer

CrystEngComm, 2026, 28,3815-3832
DOI: 10.1039/D5CE01123J, Highlight

Swagata Bhunia, Soumyadip Chatterjee, Ayan Majumder, Kasturi Saha, Suddhasatta Mahapatra, Apurba Laha
The development of III-nitride NWQDs for single-photon sources, strategies to overcome the limitations restricting room-temperature operation and faster switching speed, and their potential for a photonic qubit quantum computer are discussed.
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Crystal structures of hydroxylamine and a 15-crown-5 hydroxylaminosolvate: first observation of a cyclic hydroxylamine dimer (NH2OH)2

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00321D, Communication

Mher A. Navasardyan, Danila R. Chernyavskiy, Mikhail V. Vener
The first crystal structure of neat hydroxylamine (NH₂OH) with experimentally located hydrogen atoms and the first cyclic (NH₂OH)₂ dimer in a 15-crown-5 hydroxylaminosolvate are reported.
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The ordered organization of hydrogen-bonded organic macrocycles into a permanently porous framework

CrystEngComm, 2026, 28,3838-3842
DOI: 10.1039/D6CE00249H, Communication

Peng Cui, Cailan Chen, Kaihao Mo, Hanyu Zhang, Qiang Zhu
A novel hydrogen-bonded organic framework is constructed from the molecular design and pre-assembly of cyclic dimers.
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Nested icosahedral Na4@Ln12@L20 nanocages with a {Na4} parallelogram core and a {L20} dodecahedral shell

CrystEngComm, 2026, 28,3833-3837
DOI: 10.1039/D6CE00362A, Communication

Bei Hu, Guo-Xu Li, Li Zhu, Hui-Hui Yu, Yi-Cong Lou, Shu-Ying Luo, Fu-Pei Liang, Kai Wang
Triple-layered-nested lanthanide icosahedral nanocages Na₄@Ln₁₂@L₂₀ have been prepared. The Gd- and Dy-analogs show magnetocaloric properties and dual-relaxation behaviour, respectively.
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Effect of pressure on characteristics of diamonds synthesized at high temperature and high pressure in boron–nitrogen co-doped systems

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00360E, Paper

Shuai Fang, Long Fu, Mei Shi, Longsuo Guo, Liang chao Chen, Hong an Ma, Xiao peng Jia
In a B–N co-doped diamond synthesis system, raising the pressure inhibits N incorporation and facilitates B doping, yielding lighter green crystals and enhanced crystal quality (narrower Raman FWHM).
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Copper(I) iodide complexes based on [Cu5I7]2− units and cationic organic ligands for X-ray scintillation and imaging

CrystEngComm, 2026, 28,3892-3897
DOI: 10.1039/D6CE00336B, Paper

Qian Wu, Zhen-Zhong Lu, Rui Zhang
Two copper(I) iodide complexes based on [Cu₅I₇]²⁻ units and triethylenediamine-derived cationic ligands are reported. Complex 1 with a μ₅-iodide shows a light yield of 19 010 photons per MeV and 8 lp mm⁻¹ spatial resolution in X-ray imaging.
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Brittle or plastic? Revisiting the mechanical behavior of benzoic acid crystals

CrystEngComm, 2026, 28,3874-3883
DOI: 10.1039/D6CE00164E, Paper

Deepak Rajput, Sameer V. Dalvi
The single crystals of benzoic acid exhibit 1D plastic bending along (001) due to the formation of a low-energy slip plane through weak edge-to-edge aromatic interactions.
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Study on the crystallization of ammonium sulfate in the presence of additives

CrystEngComm, 2026, 28,3843-3864
DOI: 10.1039/D6CE00332J, Paper

Peng Zhang, Kunpeng Jia, Shuting Liu, Yanxiao Li, Xiaoxiao Han, Boran Yang, Baozeng Ren
Research into the action mechanism of additives is crucial for the crystallization of ammonium sulfate.
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The effect of vortex suppression on the large-scale epitaxial growth of unidirectional MoS2

CrystEngComm, 2026, 28,3865-3873
DOI: 10.1039/D6CE00326E, Paper

Zhaofang Cheng, Kelun Deng, Lina Chen, Shijun Duan, Shaodan He, Xudong Zhang, Zipeng Wu, Minggang Xia
Suppressing vortex flow via an open-ended boat enables uniform precursor delivery, yielding highly aligned quasi-single-crystalline monolayer MoS₂ on 1.5-inch sapphire.
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Flexible scintillation films based on Ni Co-doped LiLuF4:Tb for high-resolution X-ray and thermoluminescence dual-mode imaging

CrystEngComm, 2026, 28,3898-3906
DOI: 10.1039/D6CE00091F, Paper

Jicong Lin, Yushu Dai, Jintao Xu, Mengjie Xu, Xieming Xu, Hao Lu, Shaofan Wu, Shuaihua Wang
Ni²⁺ co-doped LiLuF₄:Tb microcrystals achieve synergistic enhancement of radioluminescence and thermoluminescence. Composite films based on LiLuF₄:Tb,Ni microcrystals enable high-resolution X-ray and thermoluminescence dual-mode imaging applications.
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Investigation on local structures of Si–Cr-based solvents via ab initio molecular dynamics

CrystEngComm, 2026, 28,3884-3891
DOI: 10.1039/D6CE00089D, Paper

Guangda Chen, Zhongnan Guo, Wenlong Wu, Zihai Li, Peirou Ji, Lishi Chen, Yunfan Yang, Da Sheng, Hui Li, Wenxia Yuan
The local structures of Si–Cr-based solvents were investigated by the AIMD method, and it reveals that the C–C bonds formed by solute C atoms in the Si–Cr solvent are broken upon the addition of Ce/Al, thereby accelerating the C diffusion.
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Subtle symmetry breaking in averievite-related compounds, (MX)Cu5O2(VO4)2 (MX = CsBr, CsI, RbBr, RbI and KI)

CrystEngComm, 2026, 28,3907-3926
DOI: 10.1039/D5CE00495K, Paper

Ilya V. Kornyakov, Olga G. Bubnova, Alexey A. Kalinichev, Marina V. Likholetova, Sergey V. Krivovichev
A chemical-pressure-driven phase transition accompanied by pseudotranslational symmetry is discovered in averievite-related copper vanadates. Small atomic displacements hinder an unambiguous choice between polar and nonpolar space groups.
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Fabrication of Co, N-codoped carbon on carbon paper as a binder-free electrode for alkaline seawater electrolysis at high current densities

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00282J, Paper

Yiduo Qiu, Qi Jin, Rencheng Tian, Xiaojun Zhao, Shi Wang, Yutong Huang, Dongyu Guo, Qinhe Pan
For the HER in alkaline seawater, the ZIF/MP/CP-800 electrode can operate continuously for 12 000 min at 400 mA cm⁻².
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Polymorphism in LiLa(WO4)2: synthesis, local structure distortion induced nonlinear optical properties and neutron PDF study

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D5CE01057H, Paper

Archana K. Munirathnappa, James R. Hester, Joerg C. Neuefeind, P. Poornesh, Ashok Rao, K. Ozga, J. Jedryka, Nalini G. Sundaram
A dual space approach combining Rietveld and PDF analysis of neutron scattering data revealing average and local geometric distortions in LiLa(WO₄)₂ polymorphs synthesized by the sol–gel technique for potential application in nonlinear optics.
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Crystal-engineered Ce-MOF-derived catalysts: defects and interfaces as drivers of catalysis

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00237D, Highlight

Swati Singh, Sameer Khan, Mohammednoor Al Tarawneh, Kyriaki Polychronopoulou
Crystal engineering of Ce-MOFs enables control of Ce³⁺/Ce⁴⁺ redox chemistry, oxygen vacancies, and metal–ceria interfaces, guiding the design of defect-rich MOF-derived catalysts.
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Encapsulation of cations in sulphate and anions in methyl sulphate salt of sulphathiazole

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00087H, Paper

Abhinav Hazarika, Abhay Pratap Singh, Jubaraj B. Baruah
The structural studies and solution studies were performed to establish the structural identity of the self-assemblies of the sulphate and methyl sulphate salt of sulphathiazole.
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Hydrogen-bonded ammonium dinitramide/dibenzo-[18]-crown-6 cocrystal with low hygroscopicity and reduced sensitivity

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00394J, Paper

Ming-Chieh Lin, Neng-Chang Li, Yu-Ren Feng, Shih-Tsung Ke, Mohamed Gamal Mohamed, Ahmed A. K. Mohammed, Shiao-Wei Kuo
Dibenzo-[18]-crown-6 (DB18C6) was used to form a novel cocrystal with ammonium dinitramide (ADN) via solvent evaporation under controlled temperature and humidity conditions to accelerate cocrystallization and reduce hygroscopicity.
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Binary-filler engineering of ZIF-8 and mesoporous silica in PEBAX mixed-matrix membranes toward enhanced CO2 separation performance

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00266H, Paper

Joy Thomas, Chien-Hua Chen, Gun Yi Park, Pei-Shan Hsu, Po-Chun Wu, Sher-Ling Lee, Cheng-Liang Liu, Dun-Yen Kang
Mixed-matrix membranes (MMMs) incorporating porous fillers provide an effective strategy to overcome the permeability–selectivity trade-off in polymeric membranes for CO₂ separation.
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Co-agglomerated Crystals of CL-20 with Insensitive Nitrogen-rich Energetic Materials

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00317F, Paper

Junmao Hong, Jinchao Ma, Xinwei Huang, Kunyou Shi, Fang Li, Chuan Xiao, Hua Qian
Co-agglomeration is a novel approach in energetic crystal engineering which has been proven an effective strategy to desensitize energetic materials. This research utilized three newly-developed insensitive nitrogen-rich energetic materials with...
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Structural Diversity and Stability of Mycophenolic Acid with Insights into Coformer induced Polymorphism and Solid-State Characterization

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00311G, Paper

Tiruveedi Veeraraghavulu, N S Mukundram, Soujanya Yarasi, Sunil Kumar Nechipadappu, Sridhar Balasubramanian
The solid-state behaviour of mycophenolic acid (MPA) was investigated systematically to examine its polymorphism and salt formation. Three coformer-induced polymorphic forms (MPA-FII, FIII, FIV) and a sodium salt (MPA-Na2-5H2O) of...
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Stoichiomorphic Transition by Sublimation: A Case Study of 4-Aminobenzoic Acid and Isonicotinamide Cocrystals

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00395H, Paper

Alex N. Manin, Ksenia V. Drozd, Denis Boycov, Yana Shakirova, Andrei V. Churakov, German L. Perlovich
The abstract should be a single paragraph that summarises the content of the article This study investigates the thermal stability and gas-phase synthesis of the [PABA+iNAM] (1:1) and (2:1) cocrystals,...
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The effect of nitrogen removal agents on diamond quality during annealing

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00342G, Paper

Qiang Chen, Fuming Deng, Ziyi Liu, Jianghe Liao, Wenli Deng, Xiaotian Xing, Houzhen Chen, Yan Wang, Junzhe Yu, Can Li, Kaiyuan Xue
This study examines the effects of de-nitrogenation agents on annealed diamonds; this process significantly enhances the diamond's lustre without introducing new impurities. Furthermore, it enables the controlled formation of NV centres.
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Optimized Seeded-Bridgman Growth and Characterizations of LiGaS2 Crystals

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00393A, Paper

Chao Ma, Xingguang Li, Shilei Wang, Shuai Liu, Xuan Wang, Zerui Li, Shanpeng Wang
Mid-infrared (MIR) nonlinear optical (NLO) crystals are essential for MIR laser generation, playing a crucial role in both civilian and military applications, particularly in high-power ultrafast laser systems. LiGaS2 (LGS)...
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High-Performance All-Inorganic CsPbBr3 Perovskite Solar Cells Fabricated using Two-Step Spin-Coating Method with NH4Ac Additive in the CsBr/H2O Solution

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00377J, Paper

Pengfei Ouyang, Weiwei Li, Dingshan Zheng, Nian Cheng, Han Pan
All-inorganic CsPbBr3 perovskite solar cells exhibit excellent humidity and thermal stability compared with organic-inorganic hybrid perovskite solar cells. However, the proposed two-step spin-coating method for fabricating CsPbBr3 film using highly...
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MOFs for uranium management: synthesis to data-driven design

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE90072K, Editorial

Marcus Hedberg, Lars Öhrström
This Editorial article places data-driven MOF design for uranium removal in the context of early uranium-harvesting MOFs and computational screening, and discusses its broader relevance to uranium management.
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Reaction–Diffusion Control of Calcium Carbonate and Calcium Phosphate Crystallization in Hydrogels: Methods, Architectures, and Mechanism

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00026F, Highlight

Chae Mi Heo, Sung Ho Yang
Biomineral crystallization occurs under diffusion-limited conditions, where ion transport, local supersaturation, and organic matrix interactions collectively regulate nucleation, phase selection, and hierarchical structure formation. Hydrogel-based reaction–diffusion systems provide versatile experimental...
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Reversible molecular rearrangement of nickel phthalocyanine between α- and x-forms in a crystalline solid by chemical treatment

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00329J, Paper

Ayane Umeda, Taro Takahashi, Ayaka Oyama, Misaki Horinouchi, Tetsu Sato, Tomoyuki Akutagawa, Kiyonori Takahashi, Masaki Matsuda
Chemical reduction of x-Ni(Pc)I produced α-Ni(Pc), and x-Ni(Pc)I could be reproduced by exposing α-Ni(Pc) to I² vapor. Their similar parallel columnar structures enable a chemically reversible structural transformation in the solid state.
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A hydrogen-bonded manganese(II) complex assembled by bipyridyl-organodisulfonate ligands exhibiting ultrahigh superprotonic conductivity

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00467A, Communication

Tao Xu, Ao-Na Sun, Rui-Han Liu, Meng-Tan Cai, Si-Chen Zhang, Dong Shao
A water-stable hydrogen-bonded manganese(II) complex constructed by mixed bipyridyl-organodisulfonate ligands was reported to exhibit an ultrahigh superprotonic conductivity up to 10⁻² S cm⁻¹.
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The structural role of the carbonyl bridge in substituted pyridine derivatives: crystallographic and computational insights towards butyrylcholinesterase recognition

CrystEngComm, 2026, 28,3707-3732
DOI: 10.1039/D6CE00189K, Paper

Keshav Kumar Harish, Omantheswara Nagaraja, Mohankumar Devaraju, Jagadeesh Prasad Dasappa, Honnappa Nagarajaiah, Divya Suresh, Vindu Vahini M., Mahendra Madegowda
Pyridine based scaffolds with key carbonyl group show strong potential against neurodegeneration. Combined crystallographic and computational studies identify MK derivatives as promising candidates for hBChE guiding future inhibitor design.
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Construction and fluorescence sensing performance of cucurbit[5]uril-based supramolecular assemblies incorporating an amino-containing sulfonate ligand as the structure inducer

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00260A, Paper

Yu-Fei Wu, Xin-Ran Chen, Jia-Yu Gu, Xin-Yu Cheng, Fei Li, Shuai Xiao, Lei Xu, Kai Chen
A disulfonate-ligated Q[5]–K⁺ coordination assembly enables the selective detection of chloramphenicol (CAP) with high sensitivity and a low detection limit.
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Comment on “A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds” by L. Wang, L. Zhao, Y. Hu, W. Wang, R. Chen and Y. Yang, CrystEngComm, 2013, 15, 2835

CrystEngComm, 2026, 28,3803-3806
DOI: 10.1039/D6CE00131A, Comment

Szymon Kamil Araj, Dariusz Maciej Pisklak, Łukasz Szeleszczuk
Periodic DFT calculations reveal that protonation at N1 is the only stable configuration in REXNIT, correcting the original assignment and highlighting the importance of accurate hydrogen atom placement in crystal structure analysis.
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Boosting oxygen evolution activity via Cr-induced electronic and structural modulation in NiFe-LDH nanosheets

CrystEngComm, 2026, 28,3733-3742
DOI: 10.1039/D6CE00303F, Paper

Yinfeng Wang, Yuhao Zhou, Xuan Zhao, Yangchun Guo, Zhenhong He, Shufang Ma, Bingshe Xu, Xiaodong Hao
NiFeCr-3, synthesized hydrothermally, exhibits overpotentials of 287 and 331 mV at 50 and 100 mA cm⁻². The enhanced performance is due to Cr doping tailoring atomic defects and optimizing the active-site electronic environment.
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Solvent-induced structural and optical transformations in a hybrid copper phosphate framework

CrystEngComm, 2026, 28,3785-3796
DOI: 10.1039/D6CE00295A, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Isis P. Carmona-Sepúlveda, Adelaide R. Kerenick, Julie L. Fenton
Hydration, dehydration, and methanol uptake switch a hybrid Cu(I) phosphate framework between three crystalline phases and three colors, linking solvent-driven structural change directly to optical response.
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Charge transport regulation in Cu1.94S–ZnS–Co9S8 heterostructures via band alignment engineering for photocatalytic hydrogen evolution

CrystEngComm, 2026, 28,3752-3761
DOI: 10.1039/D6CE00305B, Paper

Weihuang Lin, Ying Yang, Zhaozhe Chen, Si Xiao, Weijia Wang
We demonstrate that the same ZnS/Co₉S₈ interface can switch between a charge-transfer relay and a deep-level trap depending solely on band alignment, dictating photocatalytic H₂ evolution performance.
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Two- and three-dimensional nickel(II) and copper(II) metal–organic frameworks based on 1H-pyrazole-4-carboxylate

CrystEngComm, 2026, 28,3743-3751
DOI: 10.1039/D6CE00199H, Paper

Shin-ichiro Takeshi, Liangcheng Lyu, Akane Hase, Nagito Haga, Rina Takano, Takayuki Ishida, Tamizo Kogane
2D polymers, [M(pzca)₂(Hpz)₂]_n (M = Ni and Cu), and a 3D polymer, [Cu(pzca)₂]_n, were synthesized using 1H-pyrazole-4-carboxylic acid (Hpzca) and pyrazole (Hpz). Omission of the capping Hpz ligand promotes the formation of 3D.
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High-contrast switching of dielectric properties via a reversible isomerization phase transition in 1H-2,4-diamino-6-phenyl-1,3,5-triazine perchlorate

CrystEngComm, 2026, 28,3797-3802
DOI: 10.1039/D6CE00241B, Paper

Ping-Yuan Zhang, Jia Song, Su-Jing Zhang, Guang-Ying Zhang, Xiang-Yu Shi, Ze-Feng Yang, Zheng-Hui Hu, Ji-Xing Gao
1H-2,4-Diamino-6-phenyl-1,3,5-triazine perchlorate is a molecular crystal undergoing a 248 K phase transition with dielectric switching, suitable for switching applications.
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Influence of point defects on the optical properties of La3Nb0.5Ga5.5O14 crystals

CrystEngComm, 2026, 28,3775-3784
DOI: 10.1039/D6CE00090H, Paper

Jindong Chen, Hongxu Gu, Shusen Yang, Ning Ye, Kui Wu, Dazhi Lu
By combining experiments and calculations, we propose the defect formation mechanism of La₃Nb_0.5Ga_5.5O₁₄ (LGN) crystals governed by the competitive evaporation of Ga₂O and O₂.
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Novel high-concentration Eu3+-doped CaLaNbWO8 red phosphors with high brightness for w-LEDs and temperature sensing applications

CrystEngComm, 2026, 28,3762-3774
DOI: 10.1039/D6CE00055J, Paper

Daiman Zhu, Heyan Zhang, Kai Li, Yongli Li
High-content Eu³⁺-doped CaLaNbWO₈ red phosphors have been synthesized and have potential in w-LEDs and thermometry.
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A nickel-substituted Anderson-type arsenomolybdate used as an adsorbent with high efficiency and selectivity toward methylene blue

CrystEngComm, 2026, 28,3701-3706
DOI: 10.1039/D5CE01088H, Communication

Lijuan Zhang, Tinghao Lu, Ziqian Hua, Haoming Du, Hongrui Yue, Jiai Hua, Xuankai Cheng, Xiaoting Zhai, Zhiqiang Cai, Xiang Ma
A nickel-substituted Andserson-type arsenomolybdate as adsorbent with high efficiency and selectivity toward methylene blue. Graphical abstract background generated with AI.
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Yb 3+ -doped CsPbCl 3 Scintillator Used in Portable X-ray Imaging and Near-infrared Phosphor-converted Light-emitting Diode

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00366D, Paper

Jinhu Chen, Wenxuan Jiao, Xing-Wei An, Yanbin Li, Li Feng, Peng Zhang
Traditional X-ray imaging systems rely on scintillators and play a critical role in medical diagnosis and security inspection.However, their bulky size and complicated structure severely restrict their applications in portable...
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Cyclam(OH)₄ as an adaptable co-former for co-crystals with carboxylic acids and phenols

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00350H, Paper

Vladislav Lesnikov, Alexey Yu. Sukhorukov
While (macro)cyclic amines are widely used as co-formers in the design of supramolecular hydrogen-bonded crystalline networks, organic hydroxylamines remain almost unexplored in this context. Here, co-crystallization of the tetra-N-hydroxylated cyclam...
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Implication of ionic liquids in empagliflozin–isonicotinic acid eutectic system: mechanochemical synthesis, characterisation and performance attributes

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00173D, Paper

MD Huzaifa Khan, Mohd Danish Khan, Jamshed Haneef
The study highlights the role of ionic liquids in the formation of an empagliflozin–isonicotinic acid eutectic mixture and effectively tuning the performance attributes (solubility, release profile, and membrane diffusion).
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Modulated calcination temperatures of EDTA/citrate-synthesized NaNbO3 for optimized structural and optical properties

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00278A, Paper

Ila Gabriele Diniz Dias de Azevedo, Camila Pacelly Brandão de Araújo, Carlson Pereira de Souza, Christian Turquat, André Luis Lopes Moriyama, Madjid Arab
Tailored calcination of NaNbO₃ synthesized using EDTA/citrate narrows the optical bandgap and prolongs charge carrier lifetimes, thus enabling applications under visible light.
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Nonlinear optical-dielectric dual switching and narrow band gap in a one-dimensional hybrid compound: [(CH3)2S(CH2)3NH3][SbBr5]

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00306K, Paper

Peng-Peng Gong, Qian-Jun Gu, Ya-Juan Li, Yi Guo, Wan-Yu Zhu, Bo Huang
A potential hybrid ferroelectric, [(CH₃)₂S(CH₂)₃NH₃][SbBr₅], exhibits switchable nonlinear optical-dielectric properties and a narrow band gap of 2.29 eV (calculated value = 2.06 eV).
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A novel naproxen potassium dihydrate: single-crystal structure and solid-state characterization of the dihydrate and its anhydrous form with improved dissolution properties

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00184J, Paper

Marina Antonio, Gustavo O. Terrestre, Sebastián A. Barolin, Rubén M. Maggio
Obtention and characterization of a novel salt of naproxen (NAP), a widely used nonsteroidal anti-inflammatory drug, exhibiting improved dissolution properties.
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Oblique-angle deposition of self-assembled zigzag-shaped Au nanostructures in La0.7Sr0.3MnO3–Au vertically aligned nanocomposite thin films

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00284F, Communication

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Benson Kunhung Tsai, Jialong Huang, Abhijeet Choudhury, Allison Nobuko Scher, Jeremy B. Gan, Peter Bermel, Haiyan Wang
Oblique-angle deposition for zigzag La_0.7Sr_0.3MnO₃–Au vertically aligned nanocomposites.
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Experimental evidence of the Kondo effect induced by oxygen vacancies in IrO2 crystals

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00358C, Paper

Lin Cao, Hao-Min Lu, Qi-Xun Wen, Pei-Qun Ma, Xu Zhang, Jing-Ru Chang, Cheng-Hao Yin, Ye-Cheng Luo, Yang-Yang Lv, Ranran Zhang, S.-H. Yao, Jian Zhou, Shi Yan Li, Y. B. Chen
The Kondo effect observed in IrO₂ crystal comes from paramagnetic impurity-oxygen vacancy.
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Successive cation and anion exchange strategy towards hierarchical Ni–Co sulfide arrays for high-performance hybrid supercapacitors

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00368K, Paper

Nieyou Lin, Chenghao Huang, Xiaochuan Ren, Chuankun Zhang, Haichao Chen
Hierarchical Ni–Co sulfides on Ni foam are constructed by successive cation and anion exchange reactions, and the electrode shows excellent energy storage performance as a battery electrode for hybrid supercapacitors.
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NaCl-Assisted Growth of Ferroelectric SnSe Nanosheets with Spin Glass-like Behavior

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00323K, Paper

Huiwen Xu, Hanxiang Wu, Chang Li, Fei Pang
Two-dimensional (2D) SnSe is an emerging 2D material exhibiting intriguing properties such as ferroelectricity and nonlinear optical response. Here, high-quality single-crystalline SnSe nanosheets were synthesized via NaCl-assisted chemical vapor deposition...
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Investigation of structural, thermal and high-temperature piezoelectric properties of Ca3Ta(Ga1−xAlx)3Si2O14 crystals grown by the vertical Bridgman method

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00301J, Paper

Liping Shang, Chengkai Ren, Qiang Zhou, Zhigang Sun, Linwen Jiang, Cheng Ji, Shuai Wang, Yanqing Zheng
Ca₃Ta(Ga_1−xAl_x)₃Si₂O₁₄ crystals were successfully grown for the first time using the vertical Bridgman method. The as-grown crystals exhibit excellent transmittance, thermal properties, and high-temperature piezoelectric performance.
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Continuous control of thermal responses in dynamic crystals via solid solution engineering

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00302H, Paper

Jiantao Meng, Yahui Su, Hang Zhu, Wenrui Chen, An Chen, Yuan Su, Ting Cai
A solid-solution strategy enables tuning and mechanistic insight into symmetry-breaking phase transitions in molecular crystals.
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Weak interactions in metallo-supramolecular grid crystals: an analysis of their effects

CrystEngComm, 2026, 28,3589-3600
DOI: 10.1039/D6CE00269B, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Jack Harrowfield, Juan Ramirez, Adrian-Mihail Stadler
Interaction of metallo-supramolecular grids with anionic and neutral species was investigated through Hirshfeld surface analysis.
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Second-harmonic generation in two hybrid organic–inorganic metal chlorides based on L-thioproline ligand

CrystEngComm, 2026, 28,3553-3557
DOI: 10.1039/D6CE00330C, Communication

Yingjie Wang, Peiqi Qian, Xuemei Wen, Hongmei Zeng, Guohong Zou, Zhien Lin
Two hybrid organic–inorganic metal chlorides were prepared using L-thioproline molecules as terminal ligands, which exhibit second-harmonic generation efficiencies of 0.2 and 1.6 times that of KH₂PO₄, respectively.
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Numerical investigation of temperature field and thermal stress of β-Ga2O3 crystal by dual heat source coupled laser floating zone method

CrystEngComm, 2026, 28,3679-3692
DOI: 10.1039/D6CE00139D, Paper

Yihao Liu, Xiaofang Qi, Wencheng Ma, Yongkuan Xu, Zhanggui Hu
A dual-heat-source coupled laser zone system for growing Ga₂O₃ crystals was proposed, which can effectively reduce the temperature gradient and thermal stress during the crystal growth process.
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Salt-dependent switching of crystal packing in cucurbituril–antidepressant crystals

CrystEngComm, 2026, 28,3548-3552
DOI: 10.1039/D6CE00242K, Communication

Natasza Jakubik, Ewelina Zaorska, Maura Malinska
Across the CB[8]–imipramine and CB[6]–amitriptyline systems, KI or ZnCl₂ salt additives redirect packing topology, crystal stoichiometry, and channel architecture while preserving the CB[n]–guest–CB[n] recognition motif.
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Microscopic structure, thermophysical properties and crystal-growth simulations of Er:YAG melts

CrystEngComm, 2026, 28,3649-3665
DOI: 10.1039/D6CE00188B, Paper

Jing Yang, Yuxi Gao, Qingli Zhang, Mingliang Yang, Yi He, Ruixian Wang, Renqin Dou, Guihui Sun, Qi Zhang
MD simulations and aerodynamic levitation reveal Er:YAG melt properties. Integrating atomic-scale findings into macroscopic growth simulations highlights the necessity of accurate thermophysical data for optimizing crystal growth processes.
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Synergistic electronic interaction in RhCo catalyst regulated by vanadium–molybdenum oxide for enhanced alkaline hydrogen evolution

CrystEngComm, 2026, 28,3621-3637
DOI: 10.1039/D6CE00210B, Paper

Yue Wang, Tianzhe Wu, Xinxin Jin, Wei Deng, Wenqian Zhang, Xin Lin, Zexu Hao, Lin Cao, Fei Jiang
Developing high-efficiency electrocatalysts for the hydrogen evolution reaction (HER) is critical for sustainable hydrogen energy.
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Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S

CrystEngComm, 2026, 28,3558-3578
DOI: 10.1039/D6CE00140H, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Sylvia Reibeling, Tatiana E. Gorelik, Eiken Haussühl, Nick Liebisch, Martin U. Piepenbring
The crystal structure of industrial Pigment Red 5, determined by electron diffraction, revealed an unprecedented, unfavourable void. This void was filled using crystal modelling and synthesis of the corresponding solid solutions.
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pH-Regulated structural evolution enables excitation-dependent tunable and quasi-white-light emission in tetrazole-based d10 coordination polymers

CrystEngComm, 2026, 28,3601-3608
DOI: 10.1039/D6CE00111D, Paper

Yanqing Guo, Haitao Li, Lu Liu, Rong Li
Three tetrazole-based coordination compounds with distinct dimensionalities reveal how coordination geometry and π–π interactions regulate excitation-dependent multicentre photoluminescence, supported by crystal structures and DOS calculations.
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Ternary metal–organic framework of FeCoZn-ZIF as an efficient electrocatalyst for the oxygen evolution reaction

CrystEngComm, 2026, 28,3638-3648
DOI: 10.1039/D6CE00248J, Paper

Yan E, Heng Li, Hu Fan, Mingkun Du, Ke Sun, Yuxuan Li, Shuo Dong, Yijie Liu, Yi Liu, Xuelin Dong, Xianxu Chu
Ternary metal–organic framework of FeCoZn-ZIF as an efficient electrocatalyst for the oxygen evolution reaction.
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Dative and noncovalent tetrel bonding in hemidirected Pb(II) complexes with thiosemicarbazone and hydrazone ligands: significance in crystal packing and computational insights into Pb⋯N/S/O interactions

CrystEngComm, 2026, 28,3579-3588
DOI: 10.1039/D6CE00202A, Paper

Suman Adhikari, Sourav Nath, Werner Kaminsky, Sebastian Krajewski, Rahul Shukla, Subhadip Roy
Hemidirected Pb(II) complexes assemble into 1D chains and 3D frameworks via Pb(II)-centered dative (Pb←N) and tetrel bonding (Pb⋯O/S) interactions. Computational studies confirm the synergistic role of these interactions in crystal packing.
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Multi-stimuli chromic responses (light/electro/amino-) in Zn/Cd-extended viologen materials toward information encryption

CrystEngComm, 2026, 28,3609-3620
DOI: 10.1039/D6CE00124F, Paper

Chen-Ran Zhang, Ming Xiao, Qun-Shan Ding, Lin-Ke Li, Xue-Li Zhao, Shuang-Quan Zang
An extended viologen ligand H₂L·2Cl was used to construct a 2D W-shaped framework (1) and a 1D chain polymer (2). Both complexes exhibited chromic responses to light, electricity, and amine vapors, demonstrating potential for information encryption.
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Understanding of mirabegron edisylate hydrate conversion and solvate characterisation

CrystEngComm, 2026, 28,3666-3678
DOI: 10.1039/D5CE00592B, Paper

Cristina M. Balogh, Boe M. Claybourn, Mateusz B. Pitak, Thierry Bonnaud
Understanding polymorphic salts is essential for drug development. With additional insight into hydrates dehydration mechanism, the polymorphic landscape of a mirabegron salt is presented.
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Regioisomer-directed structural diversity in one-dimensional silver(I) coordination polymers

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00267F, Paper

Seohyeon Yun, Hankyeol Park, Jaejun Lee, Hyeonji Jang, In-Hyeok Park, Eunji Lee
Ligand regioisomerism directs the formation of looped, zigzag, and wave-like one-dimensional Ag(I) coordination polymers.
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The impact of polymorphism on the thermophysical properties of methyl behenate as a phase-change material

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00065G, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Rebecca Ravotti, Xiaojiao Liu, Colin R. Pulham, Anastasia Stamatiou
The discovery of three new polymorphs of methyl behenate highlights the need for clear methodologies for the design of sustainable thermal energy storage materials.
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Thermochromism and X-ray detection capabilities of a hybrid double metal halide perovskite (C3H12N2)2AgBiBr8

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00175K, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Kanika Parashar, Tamanna Pinky, Nobuyuki Yamamoto, S. A. Keishana Navodye, G. T. Kasun Kalhara Gunasooriya, Mark D. Smith, Bayram Saparov
A thermochromic and potential X-ray radiation detector based on a lead-free 2D Dion–Jacobson type double metal halide perovskite (C₃H₁₂N₂)₂AgBiBr₈.
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A novel defect-selective etching method for β-Ga2O3 single crystals based on hydrofluoric acid

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00334F, Paper

Fanyi Yin, Jiaxiang He, Yuchao Yan, Xinyu Yan, Defan Wu, Zhu Jin, Ning Xia, Hui Zhang, Deren Yang
By developing a low-temperature (60 °C) HF–HNO₃ etching method for β-Ga₂O₃, this study successfully distinguishes void-type and dislocation-type defects on the (100) surface, providing a more reliable alternative to hot phosphoric acid etching.
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Investigation of the polytype stability of 3C-SiC crystals in solution growth using a 3C-SiC seed

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00243A, Paper

Mengyu Li, Sen Luan, Zhulin Yue, Wenzhuo Chen, Xiaofang Qi, Wencheng Ma, Yongkuan Xu, Zhanggui Hu
The 3C polytype is preferentially grown on a 3C-SiC (̄̄̄) seed crystal at lower temperatures. In contrast, the 3C polytype does not appear on the (111) surface even when a seed crystal of the 3C polytype is used.
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Glycine-mediated structural evolution of ZnO nanoparticles: a robust platform for Congo red mineralization and glucose detection

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00221H, Paper

Jayasimha H. N., Chandrappa K. G., Dileepkumar V. G., Pruthviraj R. D., Jobish Johns
Graphical illustration of the solution combustion synthesis of ZnO nanoparticles, their physicochemical characterization, photocatalytic degradation of Congo red dye, and electrochemical non-enzymatic glucose sensing.
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Crystal engineering to improve the dissolution behaviour of oleanolic acid

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00322B, Paper

Junyan Luo, Yifei Xie, Ying Feng, Baoxi Zhang, Ningbo Gong, Yang Lu
In this work, we successfully synthesized five solid forms of OA–PIP. In dissolution experiments, all OA–PIP salts dissolve faster than OA, confirming that piperazine salt improves OA dissolution.
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Positional isomerism and short hydrogen bonds govern photochromic behaviour in dipyridyl-NDI⋯formic acid co-crystals

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00262E, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Adnan Ishaq, Louise Male, Neil R. Champness
Positional isomerism in pyridyl naphthalene diimide formic acid co-crystals controls reversible photochromic switching behaviour upon UV irradiation via a proton-coupled electron transfer type mechanism.
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Crystal engineering of p-sulfocinnamic acid into mononuclear cationic Fe(II), Co(II) and Fe(III) complexes

CrystEngComm, 2026, 28,3449-3457
DOI: 10.1039/D6CE00068A, Paper

Xiaochun Li, Joanne W. L. Wong, Mengmeng Wang, Youssef Draoui, Mariusz Wolff, Koen Robeyns, Aurelian Rotaru, Yann Garcia
Diverse crystal architectures were stabilized with Hpsca⁻ used as counteranion or ligand in mononuclear complexes.
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Chiral blue box host–guest encapsulation induced CPL from achiral planar fluorescence dyes

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00256K, Paper

Qing Yang, Jingya Li, Yanni He, Ting Gao, Yanyan Zhou, Hongfeng Li
Chiral Blue box serves as a supramolecular host that induces circularly polarized luminescence from encapsulated planar cationic dyes.
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Controlled synthesis of porous nano-/micro-sized metal–organic frameworks with superior capacity and selectivity for dye adsorption from aqueous solution

CrystEngComm, 2026, 28,3435-3442
DOI: 10.1039/D6CE00378H, Communication

Zhao-Peng Qi, Ji-Min Yang
NMOF nanostructures with different sizes and shapes were synthesized by a facile and rapid method. NMOF 1b nanocrystals exhibited high uptake capacities for cationic dyes.
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Syntheses, crystal structure, and photochromic properties of a new stable Ti(IV) complex

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00138F, Paper

Zeng-Ni Xiang, Jin-Ping Zhao, Zhong-Mei Xian, Mei-Yu Xu, Zhong-Hua Wang, Guang-Ming Liang
Under the irradiation of a xenon lamp or UV lamp (365 nm), Ti–PDA can rapidly exhibit a photochromic effect from colourless to dark blue. Meanwhile, the reversible transformation of color can be achieved using oxidant H₂O₂.
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Controlling quantum materials by growth: thermodynamics, kinetics, and defect engineering in transition metal dichalcogenides

CrystEngComm, 2026, 28,3414-3434
DOI: 10.1039/D6CE00245E, Highlight

Anzar Ali, Md Ezaz Hasan Khan, Mahmoud Abdel-Hafiez
Transition metal dichalcogenides (TMDs) exhibit a wide range of semiconducting, metallic, correlated, and topological electronic states arising from strong coupling between lattice structure, dimensionality, and electronic degrees of freedom.
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Polymorphism-dependent mechanochromic luminescence in a donor–acceptor compound

CrystEngComm, 2026, 28,3443-3448
DOI: 10.1039/D6CE00258G, Communication

Zhi-Bo Fan, Jia-Wang Hou, Fei Tong
Two crystals (type Y and type O) of the mechanochromic luminogen MC-TPA exhibit distinct fluorescence and grinding-induced redshift due to different packing modes and intermolecular interactions.
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Balancing energy and safety in a nitropyrazole-based melt-cast explosive carrier: 1,4-dimethyl-3,5-dinitropyrazole

CrystEngComm, 2026, 28,3458-3465
DOI: 10.1039/D6CE00253F, Paper

Jin Yue, Zu-jia Lu, Cong Li, Qi-yao Yu, Jian-guo Zhang
A novel melt-cast explosive carrier, 1,4-dimethyl-3,5-dinitropyrazole, outperforming the traditional carrier TNT, was designed.
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Correlating thermal history to structural integrity and cycling stability in NMC 111 cathodes

CrystEngComm, 2026, 28,3526-3538
DOI: 10.1039/D6CE00043F, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Jeffrey S. Ovens, Rex Chen, Yingzi Feng, Majid Talebiesfandarani, Stephen A. Campbell, Byron D. Gates
Variable-temperature X-ray diffraction identifies 800 °C for ∼6 h as optimal for NMC 111 synthesis, minimizing cation mixing and maximizing electrochemical performance.
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Metal-ion-dependent polarity switching and dielectric enhancement in solvent-vapour-responsive mononuclear complexes

CrystEngComm, 2026, 28,3499-3505
DOI: 10.1039/D5CE01141H, Paper

Open Access

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Fumiya Kobayashi, Hiroki Iwase, Shoma Hoshino, Makoto Tadokoro
Metal-ion-dependent polarity switching has been demonstrated in a solvent-vapour-responsive mononuclear complex.
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Formation pathways and structural diversity of colloidal tetramers in a two-dimensional system: a Brownian dynamics study

CrystEngComm, 2026, 28,3466-3474
DOI: 10.1039/D6CE00204H, Paper

Masahide Sato, Hiroyasu Katsuno, Yoshihisa Suzuki
Growth processes and shapes changes of a 4-mer.
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Optimizing conditions for the formation of calcium oxalate trihydrate using the response surface methodology

CrystEngComm, 2026, 28,3506-3517
DOI: 10.1039/D6CE00201C, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Nives Matijaković Mlinarić, Arijana Hamzić, Nikolina Filipović, Jelena Brdarić Kosanović, Imre Szenti, Marija Banožić, Anamarija Stanković
The response surface methodology identified additive-free conditions for calcium oxalate trihydrate formation. Temperature dominated kinetic regimes enabling phase pure COT were confirmed by PXRD, SEM, FTIR and optical microscopy.
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Novel hydroxyl-functionalized 1,2,4-triazole-based oligomers: synthetic approach, photoluminescence and coordination behaviour as uranyl chelators

CrystEngComm, 2026, 28,3486-3498
DOI: 10.1039/D6CE00233A, Paper

Dmytro M. Khomenko, Oleksandr V. Vashchenko, Roman O. Doroshchuk, Viktoriia S. Starova, Mariia Hreben, Valerii Bukhanko, Andrii V. Yatsymyrskyi, Sergiu Shova, Olga Yu. Vassilyeva, Rostyslav D. Lampeka
Mono-, bis-, and tris(1,2,4-triazole)-based oligomers bearing hydroxymethyl and hydroxyphenyl substituents exhibit blue photoluminescence in solution under UV excitation, which is quenched upon chelation with uranyl ions.
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A robust ditopic enaminone- and hydrazone-linked amine-functionalized porous organic cage for effective permanganate capture and conversion

CrystEngComm, 2026, 28,3518-3525
DOI: 10.1039/D5CE01205H, Paper

Jiajia Sheng, Yanan Guo, Guoshi Zhang, Wenjing Wang, Kongzhao Su, Daqiang Yuan
A ditopic enaminone- and hydrazone-linked amine-functionalized calix[4]resorcinarene-based porous organic cage was successfully synthesized and characterized. It shows efficient adsorption and reduction of permanganate (MnO₄⁻) from aqueous solutions.
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Fluid shear driven secondary nucleation using α-and γ-glycine seeds confirmed with rigorous control experiments

CrystEngComm, 2026, 28,3475-3485
DOI: 10.1039/D6CE00279J, Paper

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Lucas Nahas, Mei Lee, Mark D. Haw, Jan Sefcik
We propose that fluid shear driven secondary nucleation may operate similarly to primary nucleation near solution-solid interface, where enhancement of nucleation is due to stabilisation and aggregation of solute clusters in its vicinity.
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Construction of Pnictogen-Rich Cyclophosphazene-Based Manganese(II) Coordination Polymers: Structural Insights and Visible-Light Photocatalytic Activity

CrystEngComm, 2026, Accepted Manuscript
DOI: 10.1039/D6CE00290K, Paper

Rabia Emir, Yunus Zorlu, Elif Özcan
Three novel manganese(II)-based coordination polymers, PCP-27, PCP-28, and PCP-29, were synthesized using a cyclotriphosphazene-derived tetracarboxylate ligand (H4L) and different N-donor ligands (2,2’-bpyridine (bpy), terpyridine (tpy), and phenanthroline (phen), respectively). SC-XRD...
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Role of liquid water distribution in MgO hydroxylation

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00207B, Communication

Open Access

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Vitalii Starchenko, Sai Adapa, Lawrence M. Anovitz, Ilia Ivanov, Andrew G. Stack, Ke Yuan, Juliane Weber
Water distribution at the surface is a primary driver in the formation of polycrystalline solid structures during mineral precipitation.
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One step formation of amino derivatives of the closo-decaborate anion with exo-polyhedral benzimidazole groups during cadmium(II) complexation

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00234J, Paper

Svetlana E. Nikiforova, Alexey V. Golubev, Alexey S. Kubasov, Anatolii S. Burlov, Bogdan V. Chaltsev, Lyudmila N. Divaeva, Yurii V. Koshchienko, Elena A. Malinina, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
The possibility of obtaining a new class of amino derivatives of the closo-decaborate anion with exo-polyhedral benzimidazole groups has been demonstrated for the first time.
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Sensitized near-infrared emission of [Ln(hfac)4]− [Ln(III) = Nd, Yb, Er] via ruthenium counterions of 2,3,5,6-tetrakis-(2-pyridyl)pyrazine

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00268D, Paper

Yan Li, Yue-Yun Zou, Xin-Wen Hou, Yu Wu, Le-Yan Sun, Kai Wang
Three heteronuclear 4d–4f complexes: [Ru(tppz)₂][Nd(hfac)₄(H₂O)]₂ (1), and [Ru(tppz)₂][Ln(hfac)₄]₂ [Ln(III) = Yb (2), Er (3)] were reported. Tppz-based ruthenium complexes can act as effective antenna units for sensitizing selected lanthanide ions.
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Supramolecular clusters of imidazolium-based ionic liquids: the effect of the cation–anion structure on crystallization

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00238B, Paper

Suzan K. Kunz, Gustavo H. Weimer, Fellipe F. S. Farias, Priscila S. V. Lima, Vitor A. Kessler, Helio G. Bonacorso, Nilo Zanatta, Caroline R. Bender, Marcos A. P. Martins
Ionic liquids are highly versatile in supramolecular chemistry, where adjustable physicochemical properties enable the development of functional materials.
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Doping concentration-dependent structural evolution and blue shift in indium-based organic–inorganic halide hybrids

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00328A, Paper

Xue-Jian Feng, Jing-Xuan Hao, Meng-Qi Wang, Xin-Xin Pan, Meng-Yuan Zhang, Hao-Yu Hao, Dian-Hao Guo, Qi Zhang, Yue Wu
Sb³⁺ doping drives structural transformation from (BZM)₃InCl₆ to (BZM)₅In₂Cl₁₁·H₂O at 40% threshold. Compressive lattice distortion suppresses excited-state relaxation and slightly widens the band gap, causing abnormal blue-shifted emission.
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A Z-scheme BiOCl/UiO-66(Zr/Ti) heterojunction with engineered interfacial contacts for synergistic pollutant mineralization and selective sulfoxidation

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00195E, Paper

Wentao Wu, Xingxing Wu, Chenkai Peng, Yang Zhao, Danxia Zhao
Engineered Zr–O–Ti bridges in a Z-scheme BiOCl/UiO-66(Zr/Ti) heterojunction spatially compartmentalize ROS. Trace rhodamine B amplifies deep mineralization via ·OH and selective sulfoxidation via ¹O₂.
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Layered sql-type cobalt triazine-carboxylate MOF for enhanced pseudocapacitance and visible-light hydrogen evolution

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00222F, Paper

Manish Kukreja, Saman Shaheen, Tokeer Ahmad, Musheer Ahmad, Nohyun Lee, Anil Kumar Astakala, Nazrul Haq, Na'il Saleh, Kafeel Ahmad Siddiqui
A layered sql-type Co-MOF with paddle-wheel Co(II) units delivered 396 F g⁻¹ capacitance at 0.5 A g⁻¹, retained 81.68% after 10 000 cycles, and achieved visible-light H₂ evolution of 6.03 mmol h⁻¹ g⁻¹ (24.13 mmol g⁻¹ cumulative).
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Nickel and chlorine dual doping of Bi2WO6 for efficient photocatalytic degradation of RhB

CrystEngComm, 2026, Advance Article
DOI: 10.1039/D6CE00177G, Paper

Xiurong Tang, Yingzi Wang, Jizheng Yan, Yuanna Zhu, Ruixia Shi, Jia Li
Ni/Cl co-doped Bi₂WO₆ (NCB) have higher hole mobility, more oxygen vacancies, enhanced light absorption, and a reduced band gap. The rate constant k of NCB-2 is 2.27 times that of Bi₂WO₆, and ·O²⁻ plays a significant role in the degradation process.
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Energy band engineering in CsXBr3(X = Ge, Sn)/Janus MoSSe heterojunctions for photovoltaic applications

CrystEngComm, 2026, 28,3353-3363
DOI: 10.1039/D6CE00178E, Paper

Yixiao Gu, Chao Xie, Lang Yang, Han Tan, Yunkai Wu, Xu Wang
Perovskite-based materials enable the stacking of different components through van der Waals (vdW) interactions, offering unprecedented flexibility in designing functional materials.
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Single-crystals of B ← N based covalent organic polymers with dual photosensitive motifs for photocatalytic dye degradation

CrystEngComm, 2026, 28,3293-3297
DOI: 10.1039/D6CE00276E, Communication

Xinpeng He, Linkuo Li, Qichun Zhang
Under light, a single-crystalline COP (CityU-69) with B ← N bonds and dual photosensitive motifs efficiently degrades MB and MO via synergistic h⁺, ·OH, and ·O₂⁻ action.
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Effect of different defect dipoles on the polarization mechanism of Nb-doped SrTiO3 single crystals

CrystEngComm, 2026, 28,3342-3352
DOI: 10.1039/D5CE01210D, Paper

Lei Wang, Jiapeng Wang, Yilin Wu, Jianyi Ma, Jinsheng Li, Xiaoguo Bi, Xudong Sun, Weiping Lu
Oxygen-vacancy defect dipoles in Nb-doped SrTiO₃ trap free electrons, tuned by doping and annealing. Oxygen-annealed SrNb_0.5%Ti_99.5%O₃ forms more dipoles, achieving ε_r = 63 217 and tan δ = 0.0208 at 1 kHz. This guides high-performance SrTiO₃ dielectrics.
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Formation of “hair” inclusions and growth optimization for large aperture KDP crystals based on the numerical simulation method

CrystEngComm, 2026, 28,3331-3341
DOI: 10.1039/D6CE00144K, Paper

Jianyu Bai, Shumo Zhou, Baoan Liu, Mingxia Xu, Jianfeng Zhang, Lisong Zhang, Hongkai Ren, Shenglai Wang, Xinguang Xu, Xun Sun
A self-consistent flow–heat–mass transfer model shows that rotation-induced vortices create local low-supersaturation regions, promoting mother-liquor entrapment and a plausible pathway for “hair” inclusion formation in large-aperture KDP crystals.
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Crystal-facet anisotropy dictates the alkali dissolution behavior of struvite

CrystEngComm, 2026, 28,3321-3330
DOI: 10.1039/D6CE00181E, Paper

Yu Wei, Pengping Li, Zhihong Fan, Xinxing Zhang, Mingfeng Zhong, Pingan Liu, Zhijie Zhang
The long-term durability of magnesium phosphate cement (MPC), particularly in repair applications, is critically limited by the chemical stability of its primary hydration product, struvite (MgNH₄PO₄·6H₂O), in alkaline environments.
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