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Mining, refining, and QSAR analysing the nanoinformatics in EPA NaKnowBase

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D3EN00619K, Paper
Paul Harten, Henry Helgen, Wilson Melendez, Bradley Beach, William K. Boyes, Iason Sotiropoulos, Pantelis Karatzas, Haralambos Sarimveis, Holly M. Mortensen
The EPA nanoQSAR model predicts the impacts of in vitro cell viability following exposure to certain nanomaterials.
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Functional silver-based nanomaterials affecting zebrafish development: the adverse outcomes in relation to the nanoparticle physical and chemical structure

Environ. Sci.: Nano, 2024, Accepted Manuscript
DOI: 10.1039/D3EN00813D, Paper
Open Access
Patrizia Bonfanti, Anita Colombo, Rossella Daniela Bengalli, Maurizio Gualtieri, Ilaria Zanoni, Magda Blosi, Anna Costa, Paride Mantecca
The growing demand for effective antimicrobials determined a significant increase of new nanoformulated materials to fight against bacteria and viruses, to be used in many industrial sectors including textiles, cosmetics,...
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Zeolite-like ion-exchanged Cu-attapulgite catalysts for promoted selective oxidation of ammonia

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00157E, Paper
Xuebin Zhang, Tianwei Lan, Qiuying Yi, Yufei Wang, Danhong Cheng, Dengsong Zhang
Zeolite-like ion-exchanged Cu-attapulgite catalysts have been developed for selective catalytic oxidation of ammonia.
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Anatase TiO2 nanomaterials are much more effective in enhancing hydrolysis of organophosphorus compounds than their rutile counterparts

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00138A, Paper
Tong Li, Yiting Ju, Tingting Du, Chuanjia Jiang, Tong Zhang, Wei Chen
The crystalline phase significantly affects the efficiency of TiO2 nanomaterials in catalyzing hydrolysis reactions of organophosphates, primarily by modulating the surface Lewis acidity of TiO2.
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Co-transport of polybromodiphenyl ethers and soil nanoparticles in saturated porous media: implications for the risks of polybromodiphenyl ether spreading in groundwater

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00086B, Paper
Jiameng Liu, Tianchi Cao, Lin Duan, Shengkai Xu, Min Li, Tong Zhang, Wei Chen
This study demonstrates that PBDEs attached to soil nanoparticles can be highly mobile in saturated porous media, providing important insights on risk assessment of PBDEs contamination.
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Correction: Nano-pelargonidin modulates p53/PARP/HSP 90/XRCC1 signaling axis to combat cypermethrin-induced genotoxicity and metabolic dysfunction in fish: a molecular docking predicted in vivo approach

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN90017K, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Priyanka Sow, Sudatta Dey, Rishita Dey, Asmita Samadder, Sisir Nandi, Debojyoti Tarafdar, Anisur Rahman Khuda-Bukhsh
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Constructing a novel super-crosslinked triazine COF through molecular expansion for enhanced photocatalytic performance under visible light

Environ. Sci.: Nano, 2024, Advance Article
DOI: 10.1039/D4EN00176A, Paper
Yuxuan Shao, Dan You, Yuqi Wan, Zhiquan Pan, Qingrong Cheng
A novel hypercrosslinked triazine COF photocatalyst (HCTF-2) with excellent photocatalytic performance was constructed by molecular expansion. HCTF-2 has a larger specific surface area and exhibits excellent molecular oxygen activation ability.
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Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns

CrystEngComm, 2024, 26,1952-1961
DOI: 10.1039/D4CE00010B, Paper
Showkat Rashid, Ahmad Husain, Bilal A. Bhat, Goverdhan Mehta
This article examines C–H⋯O and O–H⋯O hydrogen-bonded patterns in polyoxygenated decalins, showcasing varied supramolecular architectures influenced by oxyfunctionalisation and surrogate carbonate groups.
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Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers

CrystEngComm, 2024, 26,1976-1985
DOI: 10.1039/D4CE00005F, Paper
Satyendra Verma, Rinki Brahma, Jubaraj B. Baruah
A semi-flexible imidazole-based urea ligand, 1-(3-(1H-imidazol-1-yl)propyl)-3-phenylurea, and three zinc-dicarboxylate coordination polymers possessing the ligand were synthesized and characterized.
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Macro- and micro-structural manifestation and engineering of large-size polycrystalline ZnSe

CrystEngComm, 2024, 26,1986-1993
DOI: 10.1039/D3CE01243C, Paper
Xiaobo Zhao, Cong Zhang, Zhengping Wang, Dazhi Lu, Haohai Yu, Huaijin Zhang
Polycrystalline ZnSe materials with sizes of 100 mm were grown by the CVD method, and their constitution structures and defects were investigated to analyze the influence of the preparation conditions on the optical transmission properties of the materials.
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Study on growth technology and optical properties of large size and high quality methylamine lead bromide single crystals

CrystEngComm, 2024, 26,2003-2008
DOI: 10.1039/D4CE00028E, Paper
Yuanlong Sun, Yundong Ma, Xiangting Li, Ziyu Hu, Guozong Zheng
As a new generation of photoelectric materials, organic–inorganic halide perovskites have been widely used in photodetectors, solar cells and other fields, but most of the current mainstream applications are thin film materials.
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Rock-salt Ti1−xO → rutile TiO2−x transformation twinning via pulsed laser deposition – implications for the dense (hkl)-specific phase change and optoelectronic properties

CrystEngComm, 2024, 26,1926-1939
DOI: 10.1039/D3CE01091K, Paper
Chang-Ning Huang, Jian-Yu Chen, Yu-Xuan Lin, Pouyan Shen
The R + r intimate intergrowth was found to form a butterfly twin following the optimum crystallographic orientation relationship [101]R//[11̄]r by the close-packed (̄11)R and (011)r planes as the twin boundary and phase interface, respectively.
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Two multifunctional Dy(III)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation

CrystEngComm, 2024, 26,2033-2042
DOI: 10.1039/D4CE00065J, Paper
Ya-Qing Liao, Tian-Zheng Xiong, Kang-Le Xie, Huan Zhang, Jun-Jie Hu, He-Rui Wen
Two novelty Dy-MOFs were synthesized using H4DTTP-2OMe ligand. MOF 1 displays a more superior proton conductivity, field-induced single molecule magnets behavior and obvious second-order nonlinear optical properties.
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Effects of nucleating agents on the II–I transition of iPB-1

CrystEngComm, 2024, 26,1940-1951
DOI: 10.1039/D3CE01303K, Paper
Zhiqi Li, Jingqing Li, Shichun Jiang
For iPB-1, II–I transition is of industrial importance; whereas, the traditional solid–solid II–I transition mechanism encountered challenges. It is form I formation in amorphous phase that triggers II-I transition with crystal reorganizations.
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Pure organic TPB single crystal for direct X-ray detection

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00200H, Paper
Kai Jiang, Lingyan Xu, Rongjin Shang, Lu Liang, Yingming Wang, Zhentao Qin, Wanqi Jie
High-quality TPB single crystals were obtained without obvious step-like growth morphology. The TPB devices could present α-particle and γ-ray spectral responses with high energy resolution, showing potential for direct radiation detection.
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FeS nanosheets assembled with 1T-MoS2 nanoflowers on iron foam for efficient overall water splitting

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01315D, Paper
Bo Feng, Shuting Jin, Jihui Lang, Jian Wang, Jie Hua, Yunfei Sun, Wei Zhang, Jin Wang, Jian Cao
The exploration of highly efficient noble-metal-free catalysts for overall water splitting is crucial for industrial application.
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Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01275A, Paper
Yanyan Wang, Ying Xiong, Wuping Liao
The assembly of polynuclear titanium-calixarene complexes is based on Ti4–C8A SBUs.
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Zn1−xMgxTe and P:Zn1−xMgxTe (x = 0.06–0.25) bulk crystals grown by travelling Te solution method

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00081A, Paper
Yuchen Song, Tingting Zhang, Jiahui Lv, Guorong Zhang, Changyou Liu, Tao Wang, Gangqiang Zha, Wanqi Jie
Zn1−xMgxTe and P:Zn1−xMgxTe (x = 0.06–0.25) bulk crystals were successfully grown by travelling Te solution method. The segregation of Mg with the growth of crystal is weaken and the as-grown crystal has high homogeneity.
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Co-doped modified LiLuF4:Eu microcrystalline scintillation with flexible film for high resolution X-ray imaging

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00211C, Paper
Xixi Huang, Jinhai Yang, Hao Lu, Xieming Xu, Shuaihua Wang, Shaofan Wu
X-ray detectors based on scintillators are widely used in the fields of medical imaging, high-energy physics, geological exploration, and industrial detection. The development of scintillation materials with different characteristics has...
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Modulating the active phase in perovskite LaCoO3 with B-site doping of Cu for efficient methanol reforming to produce hydrogen

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01268A, Paper
Weiling Zhang, Peiwei Han, Juan Li, Zizhen Niu, Guowei Wang, Nan Wang, Xiangnan Li, Lyumeng Ye, Xinjun Li
The structure transformation of Cu+–Ov–Co2+ and Cu2+–O–Co3+ on the efficient MSR reaction.
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Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01018J, Paper
Kazuaki Yamanaka, Ryusei Oketani, Yuya Mori, Takashi Sato, Seiji Tsuzuki, Hiroki Takahashi, Hirohito Tsue
A novel N,C-protected dipeptide deposited nonporous but yet CO2-sorbing molecular crystals, of which the CO2 sorption state was disclosed.
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Assessing aspects of solution-based chemical synthesis to convert waste Si solar cells into nanostructured aluminosilicate crystals

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00038B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Edita Garskaite, Math Bollen, Enock Mulenga, Mathis Warlo, Glenn Bark, Espen Olsen, Dalia Brazinskiene, Denis Sokol, Dietrich Buck, Dick Sandberg
An affordable, scalable, and easily adoptable solution-based processing route provides a potential way of converting waste Si solar cells into aluminosilicate minerals to contribute to sustainability in the solar energy value chain.
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High-quality β-(AlxGa1-x)2O3 thin films on sapphire substrate by face-to-face annealing

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00263F, Paper
Songhao Wu, Chicheng Ma, Han Yang, Zichun Liu, Yuanxiao Ma, Ran Yao, Yiyun Zhang, Hua Yang, Xiaoyan Yi, Junxi Wang, Yeliang Wang
High-quality β-(AlxGa1-x)2O3 thin film is fabricated through a face-to-face annealing on sapphire substrate covered by epitaxial Ga2O3. Al atoms during the high-temperature annealing are uniformly diffused from the sapphire substrate...
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Enhanced photocatalytic activity of single-atom Au1/TiO2 catalysts prepared using cold plasma

CrystEngComm, 2024, 26,2103-2111
DOI: 10.1039/D4CE00171K, Paper
Zikun Yang, Jingxuan Zheng, Mengge Shi, Zhao Wang
Single-atom Au1/TiO2-DBD catalysts were synthesised using DBD plasma and glow plasma, and the synergistic effect of single-atom Au and oxygen vacancies improved the degradation performance.
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Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility

CrystEngComm, 2024, 26,2112-2122
DOI: 10.1039/D4CE00039K, Paper
Yao Zou, Xin Meng, Baoxi Zhang, Hongmei Yu, Guorong He, Ningbo Gong, Yang Lu, Guanhua Du
In this study, we designed and synthesized a series of gefitinib (GEF) salts and cocrystals with phenolic acids, comprising two salts, one cocrystal, and two salt cocrystals. All these forms exhibited significant improvements in solubility compared to pure GEF.
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Fabrication of BiVO4 submicron rods photoanodes through phase transition assisted by Mo doping

CrystEngComm, 2024, 26,2078-2086
DOI: 10.1039/D4CE00074A, Paper
Shuang Zhao, Haipeng Zhang, Zhaoqi Wang, Deifei Xiao, Xianbin Xu, Peng Wang, Zhaoke Zheng, Yuanyuan Liu, Ying Dai, Hefeng Cheng, Zeyan Wang, Baibiao Huang
Herein, Mo doping has been found to effectively lower the phase transition temperature from tetragonal zircon BiVO4 to monoclinic scheelite BiVO4. Our research introduces a novel method for the production of submicron rods BiVO4 photoanodes.
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Using the nature of the achiral solvent to orient chiral resolution

CrystEngComm, 2024, 26,2056-2059
DOI: 10.1039/D4CE00124A, Communication
Joséphine de Meester, Oleksii Shemchuk, Laurent Collard, Johan Wouters, Simon Baillieux, Koen Robeyns, Tom Leyssens
Both (R)- and (S)-Binol can be resolved from a racemic mixture using the same (R,R)-diamine resolving agent, merely adapting the nature of the solvent. This peculiarity is explained by the existence of both a diastereomeric as well as enantiospecific solvate cocrystal system.
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The structural evolution of CL-20-based energetic host–guest solvates at decomposition temperature according to the perceptions of THz spectroscopy

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D3CE01310C, Paper
Lu Shi, XiaoHui Duan, Hongzhen Li
This work employed variable-temperature THz spectroscopy to analyze the structural evolution of host–guest energetic CL-20/H2O2 and CL-20/H2O solvates, as well as the mechanism of intermolecular interactions using DFT calculation and MD simulation.
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Chemical solution deposition of a (GaAl)2O3 single layer with high thickness and silver-enhanced crystal quality

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00086B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xiao Tang, Wesam A. AlQanbar, Mohamed Ben Hassine, Yi Lu, Haicheng Cao, Chuanju Wang, Zixian Jiang, Tingang Liu, Na Xiao, Mingtao Nong, Vishal Khandelwal, Xiaohang Li
A new study presents a revolutionary CSD method to create thick (180 nm) single-layer (GaAl)2O3 films with enhanced crystal quality through silver doping.
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A novel one-dimensional Y2(Zr0.6Ti0.4)2O7:Eu tube-in-tube nanostructure fabricated by a single-nozzle electrospinning technique and its low color drift property at high temperature

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00149D, Paper
Shanshan Cong, Zhuang Tian, Hongquan Yu, Sai Xu, Lihong Cheng, Baojiu Chen, Tianshuo Liu
1D Y2(Zr0.6Ti0.4)2O7:Eu tube-in-tube nanostructures were fabricated by a simple single-nozzle electrospinning method. These materials exhibit excellent luminescent stability and lower color drift performance at high temperatures.
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Degradation of tetracycline by visible light using Ca2Nb2O7 composite oxides with perovskite and pyrochlore sub-crystalline phases

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00044G, Paper
Junwei Xu, Chengxin Lu, Xianfeng Zhang, Rumeng Ouyang, Xiuzhong Fang, Xianglan Xu, Xiang Wang
We synthesized two paramorphs of Ca2Nb2O7 for visible light degradation of tetracycline, and found that pyrochlore phase has better reactivity compared to perovskite phase, which is attributed to the intrinsic oxygen vacancies and lattice disorder of pyrochlore phase.
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Red-emitting Cs2NaScCl6:Sm flexible films for high-resolution X-ray imaging

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00018H, Paper
Yuxia Li, Qi Luo, Xin Huang, Hao Lu, Yazhou Yuan, Xieming Xu, Shuaihua Wang, Shaofan Wu
A study of the radiation detection properties of Cs2NaScCl6:Sm and imaging of flexible scintillation films.
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Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00325J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ghodrat Mahmoudi, Isabel Garcia-Santos, Roi Fernández-Vázquez, Rosa Maria Gomila, Alfonso Castineiras, Esmail Doustkhah, Ennio Zangrando, Antonio Frontera
Four lead(II) complexes featuring pyrazoylisonicotinoylhydrazone ligand paired with various anionic co-ligands (azido, thiocyanato, nitrito, and nitrato) were synthesized and thoroughly examined using structural, analytical, and spectroscopic techniques. These ligands, in...
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Highly enhanced cationic dye adsorption from water by nitro-functionalized Zn-MOF nano/microparticles and a biomolecular binder for improving the reusability

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00131A, Paper
Gunasekaran Arunkumar, Mehboobali Pannipara, Abdullah G. Al-Sehemi, Savarimuthu Philip Anthony
Zn-MOF with a nitro-functionalized ligand exhibited enhanced cationic dye adsorption, and binder coating improved the reusability.
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Highly efficient and durable P, Ru–CeO2 self-supporting electrodes toward industrial-level hydrogen production

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00143E, Paper
Wenguang Ma, Xiaodong Yang, Yanru Xu, Cuncheng Li, Yiqiang Sun, Qi Shen, Zhixin Sun
The electrolysis of seawater has become a preferred method for hydrogen production since the current shortage of freshwater resources, offering an effective strategy to address the energy crisis.
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Nitro group and K+-based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00255E, Paper
Open Access
Raúl Mendoza-Báez, Alan Molina-Renteria, Juan Olguín
Two dinuclear dianionic helicates, K2[MII2(L)3] M = MnII (1) and NiII (2), based on 2-hydroxy-5-nitrobenzaldehyde, self-assemble into novel 3D coordination polymers due to nitro groups acting as secondary assembly instruction.
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A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00318G, Communication
Heng Yi, Mu-Yang Zhou, Le Ye, Xiao-Tong Lu, Dong-Dong Zhou, Jie-Peng Zhang
It is challenging to design and synthesize stable crystalline structures with heterogeneous pores. Herein, we design and synthesize a new azole ligand with rich aromatic moieties and trifluoromethyl groups, and...
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The development of an approach for the precision determination of thermal strain tensor elements for single crystals using the example of t-Ag0.8Li0.2InSe2

CrystEngComm, 2024, 26,2207-2218
DOI: 10.1039/D3CE01186K, Paper
Polina S. Serebrennikova, Sergey I. Lobanov, Alexander S. Sukhikh, Lyudmila I. Isaenko, Sergey A. Gromilov
A new approach to the precision determination of single-crystal unit cell parameters is proposed and demonstrated using tetragonal Ag0.8Li0.2InSe2.
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Distribution of basal plane dislocations in 4-degree off-axis 4H-SiC single crystals

CrystEngComm, 2024, 26,2143-2154
DOI: 10.1039/D4CE00055B, Paper
Sheng'ou Lu, Binjie Xu, Yazhe Wang, Hongyu Chen, Wei Hang, Rong Wang, Julong Yuan, Xiaodong Pi, Deren Yang, Xuefeng Han
The basal plane slip model in 4H-SiC was developed to investigate the effects of off-axis angles on total resolved shear stress. The results showed that the TRSS changed from 6-fold to 4-fold symmetry with the increasing off-axis angles.
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Study on Raman scattering spectroscopy of Mn-doped GaN grown by the ammonothermal method

CrystEngComm, 2024, 26,2166-2171
DOI: 10.1039/D4CE00093E, Paper
Wenhao Lu, Tengkun Li, Guoqiang Ren, Zhenghui Xia, Kaihe Xie, Shaozhe Li, Liangkun Shen, Ke Xu
Mn-doped GaN crystals of a-plane and (11−22) plane were grown by the ammonothermal method.
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Shortening CN⋯Br–Csp3 halogen bonds via π-stacking

CrystEngComm, 2024, 26,2131-2135
DOI: 10.1039/D4CE00307A, Communication
Open Access
Kamil Kupietz, Rosa M. Gomila, Thierry Roisnel, Antonio Frontera, Rafael Gramage-Doria
An extremely short N⋯Br distance between a nitrile group and a Csp3-linked bromine atom was encountered in the solid-state and rationalized by DFT calculations, which emphasized the role of π-stacking for bringing both partners at close proximity.
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In situ P-doping induced Se vacancies enhance the supercapacitor performance of NiCo2Se4

CrystEngComm, 2024, 26,2197-2206
DOI: 10.1039/D4CE00048J, Paper
Miaomiao Wang, Weizhe Liu, Li Zhang, Huanli Liu, Xiao Yang
In this paper, we report the synthesis of P-doped NiCo2Sex nanomaterials with rich Se vacancies induced by P doping, which greatly improves the supercapacitor performance of electrode materials.
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Acoustic shock wave-induced phase transition in indium selenide: tuning band gap energy for solar cell applications

CrystEngComm, 2024, Advance Article
DOI: 10.1039/D4CE00012A, Paper
S. Oviya, F. Irine Maria Bincy, S. Arumugam, K. Kamala Bharathi, Raju Suresh Kumar, P. Kannappan, Ikhyun Kim, S. A. Martin Britto Dhas
Acoustic shock wave loading experiment on indium selenide.
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WhatsApp launches screen-sharing, tabs for navigation bar on Android

Meanwhile, WhatsApp is working on a username feature




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Twitter is testing Community Notes for images, videos

Twitter feature will soon expand to support multiple images, GIFs and videos.




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Elon Musk goes silent on Twitter after arriving in China

Musk met with Chinese government officials and local business leaders during his visit.




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Twitter is refusing to pay its Google Cloud bills: Report

Twitter hosts some services on its server and houses others on the cloud platforms of Amazon and Google.




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Reddit protest: Why are thousands of subreddits going dark?

Starting next month, third-party app developers using Reddit's vast troves of data will have to pay a price and the changes could affect players across the spectrum




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Twitter sued by music publishers for allowing copyrighted songs

Members of the National Music Publishers’ Association (NMPA) are seeking over $250 million in damages for alleged infringement of nearly 1,700 copyrights.




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Elon Musk says Twitter video app for smart TVs is 'coming'

Musk responded to a tweet suggesting that a Twitter video app is needed.