journal
https://read.qxmd.com/read/38250542/leveling-up-organic-semiconductors-with-crystal-twisting
#21
REVIEW
St John Whittaker, Hengyu Zhou, Rochelle B Spencer, Yongfan Yang, Akash Tiwari, Justin Bendesky, Merritt McDowell, Pallavi Sundaram, Idalys Lozano, Shin Kim, Zhihua An, Alexander G Shtukenberg, Bart Kahr, Stephanie S Lee
The performance of crystalline organic semiconductors depends on the solid-state structure, especially the orientation of the conjugated components with respect to device platforms. Often, crystals can be engineered by modifying chromophore substituents through synthesis. Meanwhile, dissymetry is necessary for high-tech applications like chiral sensing, optical telecommunications, and data storage. The synthesis of dissymmetric molecules is a labor-intensive exercise that might be undermined because common processing methods offer little control over orientation...
January 17, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188269/cation-dynamics-as-structure-explorer-in-hybrid-perovskites-the-case-of-mapbi-3
#22
JOURNAL ARTICLE
Kacper Drużbicki, Pablo Gila-Herranz, Pelayo Marin-Villa, Mattia Gaboardi, Jeff Armstrong, Felix Fernandez-Alonso
Hybrid organic-inorganic perovskites exhibit remarkable potential as cost-effective and high-efficiency materials for photovoltaic applications. Their exceptional chemical tunability opens further routes for optimizing their optical and electronic properties through structural engineering. Nevertheless, the extraordinary softness of the lattice, stemming from its interconnected organic-inorganic composition, unveils formidable challenges in structural characterization. Here, by focusing on the quintessential methylammonium lead triiodide, MAPbI3 , we combine first-principles modeling with high-resolution neutron scattering data to identify the key stationary points on its shallow potential energy landscape...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188268/pb-removal-efficiency-by-calcium-carbonates-biogenic-versus-abiogenic-materials
#23
JOURNAL ARTICLE
Ana Roza-Llera, Fulvio Di Lorenzo, Sergey V Churakov, Amalia Jiménez, Lurdes Fernández-Díaz
The sorption of heavy metals on mineral surfaces plays a key role in controlling the fate and bioavailability of harmful elements through dissolution-precipitation reactions. Here, we investigate the efficiency of Pb removal from highly contaminated waters by two calcium carbonate hard tissues, scallop shells (up to 99.9 mol %; -biocalcite) and cuttlefish bones (up to 90.0 mol %; bioaragonite), which template the precipitation of the highly insoluble mineral cerussite (PbCO3 ). The experiments show that both biomaterials are about five times more effective Pb scavengers (5 mmol of cerussite precipitated/g sample) than their inorganic counterparts (∼1 mmol/g)...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188267/thin-films-of-%C3%AE-quartz-geo-2-on-tio-2-buffered-quartz-substrates
#24
JOURNAL ARTICLE
Silang Zhou, Kit de Hond, Jordi Antoja-Lleonart, Václav Ocelík, Gertjan Koster, Guus Rijnders, Beatriz Noheda
α-Quartz (SiO2 ) is one of the most widely used piezoelectric materials. However, the challenges associated with the control of the crystallization and the growth process limit its production to the hydrothermal growth of bulk crystals. GeO2 can also crystallize into the α-quartz phase, with a higher piezoelectric response and better thermal stability than SiO2 . In a previous study, we have found that GeO2 crystallization on nonquartz substrates shows a tendency to form spherulites with a randomized orientation; while epitaxial growth of crystalline GeO2 thin films can take place on quartz (SiO2 ) substrates...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188266/assessment-of-gaff-and-opls-force-fields-for-urea-crystal-and-aqueous-solution-properties
#25
JOURNAL ARTICLE
Samira Anker, David McKechnie, Paul Mulheran, Jan Sefcik, Karen Johnston
Molecular simulations such as Monte Carlo, molecular dynamics, and metadynamics have been used to provide insight into crystallization phenomena, including nucleation and crystal growth. However, these simulations depend on the force field used, which models the atomic and molecular interactions, to adequately reproduce relevant material properties for the phases involved. Two widely used force fields, the General AMBER Force Field (GAFF) and the Optimized Potential for Liquid Simulations (OPLS), including several variants, have previously been used for studying urea crystallization...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188265/w-18-o-49-nanowhiskers-decorating-sio-2-nanofibers-lessons-from-in-situ-sem-tem-growth-to-large-scale-synthesis-and-fundamental-structural-understanding
#26
JOURNAL ARTICLE
Vojtech Kundrat, Kristyna Bukvisova, Libor Novak, Lukas Prucha, Lothar Houben, Jakub Zalesak, Antonio Vukusic, David Holec, Reshef Tenne, Jiri Pinkas
Tungsten suboxide W18 O49 nanowhiskers are a material of great interest due to their potential high-end applications in electronics, near-infrared light shielding, catalysis, and gas sensing. The present study introduces three main approaches for the fundamental understanding of W18 O49 nanowhisker growth and structure. First, W18 O49 nanowhiskers were grown from γ-WO3 / a -SiO2 nanofibers in situ in a scanning electron microscope (SEM) utilizing a specially designed microreactor (μReactor). It was found that irradiation by the electron beam slows the growth kinetics of the W18 O49 nanowhisker, markedly...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38188264/custom-design-of-a-humidifier-chamber-for-in-meso-crystallization
#27
JOURNAL ARTICLE
Egor Marin, Kirill Kovalev, Therese Poelman, Rick Veenstra, Valentin Borshchevskiy, Albert Guskov
Membrane proteins are indispensable for every living organism, yet their structural organization remains underexplored. Despite the recent advancements in single-particle cryogenic electron microscopy and cryogenic electron tomography, which have significantly increased the structural coverage of membrane proteins across various kingdoms, certain scientific methods, such as time-resolved crystallography, still mostly rely on crystallization techniques, such as lipidic cubic phase (LCP) or in meso crystallization...
January 3, 2024: Crystal Growth & Design
https://read.qxmd.com/read/38089069/2-2-bipyridine-derivatives-as-halogen-bond-acceptors-in-multicomponent-crystals
#28
JOURNAL ARTICLE
Filip Kučas, Lidija Posavec, Vinko Nemec, Nikola Bedeković, Dominik Cinčić
In this work, we present a systematic study of the halogen bonding potential of different 2,2'-bipyridine derivatives in the synthesis of cocrystals by using selected perfluorinated iodobenzenes and N -haloimides as halogen bond donors. These halogen bond acceptor molecules were chosen to explore how different substituents on 2,2'-bipyridine affect halogen bond formation. Out of 24 combinations, we obtained only 8 cocrystals by using two methods, liquid-assisted grinding and crystallization from the solution...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/38076529/new-solid-forms-of-griseofulvin-a-solvate-and-a-relict-polymorph-related-to-reported-solvates
#29
JOURNAL ARTICLE
Mariana O Diniz, Enrico Spoletti, Peuli Ghosh, Matteo Lusi, Michael Svärd, Åke Rasmuson, Sarah P Hudson
This work presents two new solid forms, a polymorph and a solvate, of the antifungal active pharmaceutical ingredient griseofulvin (GSF). The novel forms were characterized by powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis, and their crystal structures were determined by single-crystal X-ray diffraction. The new polymorphic form (GSF Form VI) was obtained upon drying at room temperature the GSF-acetonitrile solvate. GSF Form VI is a relict structure related to reported solvates of GSF...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/38076528/investigations-of-the-ador-process-using-solid-state-nmr-spectroscopy
#30
JOURNAL ARTICLE
Cameron M Rice, Olivia J Dovernor, Russell E Morris, Sharon E Ashbrook
The assembly-disassembly-organization-reassembly (ADOR) process for the transformation of zeolite UTL using water has been studied by using 29 Si and 17 O solid-state NMR spectroscopy. The results show that the intermediate materials that are formed during the reaction are extremely dynamic and that the process involves both irreversible changes in structure that define the overall pathway and reversible lability of the Si-O-Si linkages that have no effect on the overall structure. The combination of processes occurring during the ADOR reaction means that the mechanism is considerably more complex than initially proposed...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/38076527/effect-of-n-helicene-length-on-crystal-packing
#31
JOURNAL ARTICLE
Julia A Schmidt, Emma H Wolpert, Grace M Sparrow, Erin R Johnson, Kim E Jelfs
Chiral π-conjugated organic molecules hold potential for emerging technologies as they are capable of introducing novel functionalities into electronic devices owing to their strong chiroptical properties. However, capitalizing on chiral molecules for electronic devices is reliant on their molecular packing-a factor that impacts their charge-transport properties. The solid-state behavior of molecules is sensitive to subtle differences in molecular interactions, chirality, and shape, but these relationships are not fully understood...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/38076526/shape-controlled-synthesis-of-cu-3-teo-6-nanoparticles-with-photocatalytic-features
#32
JOURNAL ARTICLE
Javier Fernández-Catalá, Laura Jussila, Matyas Daboczi, Filipp Temerov, Salvador Eslava, Rossella Greco, Wei Cao
Cu3 TeO6 (CTO) has been synthesized by hydrothermal synthesis applying different pH values without any template or a calcination step to control the crystalline phase and the morphology of nanoparticles. The physicochemical properties characterized by X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, N2 adsorption, X-ray photoelectron spectroscopy, and diffuse reflectance ultraviolet-visible (DRUV-vis) spectroscopy techniques revealed that the pH values significantly influence the crystal growth...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/38076525/universality-of-hair-as-a-nucleant-exploring-the-effects-of-surface-chemistry-and-topography
#33
JOURNAL ARTICLE
Thomas H Dunn, Sebastian A Skaanvik, Ian J McPherson, Cedrick O'Shaughnessy, Xuefeng He, Alexander N Kulak, Stuart Micklethwaite, Adriana Matamoros-Veloza, Ilaria Sandei, Liam Hunter, Thomas D Turner, Johanna M Galloway, Martin Rosenthal, Andrew J Britton, Marc Walker, Mingdong Dong, Patrick R Unwin, Fiona C Meldrum
The ability to control crystal nucleation through the simple addition of a nucleating agent (nucleant) is desirable for a huge range of applications. However, effective nucleating agents are known for only a small number of systems, and many questions remain about the mechanisms by which they operate. Here, we explore the features that make an effective nucleant and demonstrate that the biological material hair-which naturally possesses a chemically and topographically complex surface structure-has excellent potential as an effective nucleating agent...
December 6, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937193/lateral-tunnel-epitaxy-of-gaas-in-lithographically-defined-cavities-on-220-nm-silicon-on-insulator
#34
JOURNAL ARTICLE
Zhao Yan, Bogdan-Petrin Ratiu, Weiwei Zhang, Oumaima Abouzaid, Martin Ebert, Graham T Reed, David J Thomson, Qiang Li
Current heterogeneous Si photonics usually bond III-V wafers/dies on a silicon-on-insulator (SOI) substrate in a back-end process, whereas monolithic integration by direct epitaxy could benefit from a front-end process where III-V materials are grown prior to the fabrication of passive optical circuits. Here we demonstrate a front-end-of-line (FEOL) processing and epitaxy approach on Si photonics 220 nm (001) SOI wafers to enable positioning dislocation-free GaAs layers in lithographically defined cavities right on top of the buried oxide layer...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937192/epitaxial-growth-of-201-%C3%AE-ga-2-o-3-on-001-diamond-substrates
#35
JOURNAL ARTICLE
Arpit Nandi, David Cherns, Indraneel Sanyal, Martin Kuball
Heteroepitaxial growth of β-Ga2 O3 on (001) diamond by metal-organic chemical vapor deposition (MOCVD) is reported. A detailed study was performed with Transmission Electron Microscopy (TEM) elucidating the epitaxial relation of (-201) β-Ga2 O3 ||(001) diamond and [010]/[-13-2] β-Ga2 O3 ||[110]/[1-10] diamond, with the presence of different crystallographically related epitaxial variants apparent from selected area diffraction patterns. A model explaining the arrangement of atoms along ⟨110⟩ diamond is demonstrated with a lattice mismatch of 1...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937191/effect-of-laser-exposed-volume-and-irradiation-position-on-nonphotochemical-laser-induced-nucleation-of-potassium-chloride-solutions
#36
JOURNAL ARTICLE
Vikram Korede, Mias Veldhuis, Frederico Marques Penha, Nagaraj Nagalingam, PingPing Cui, Antoine E D M Van der Heijden, Herman J M Kramer, Hüseyin Burak Eral
Herein, we study the influences of the laser-exposed volume and the irradiation position on the nonphotochemical laser-induced nucleation (NPLIN) of supersaturated potassium chloride solutions in water. The effect of the exposed volume on the NPLIN probability was studied by exposing distinct milliliter-scale volumes of aqueous potassium chloride solutions stored in vials at two different supersaturations (1.034 and 1.050) and laser intensities (10 and 23 MW/cm2 ). Higher NPLIN probabilities were observed with increasing laser-exposed volume as well as with increasing supersaturation and laser intensity...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937190/optically-controlled-dissolution-kinetics-of-vaterite-microcapsules-toward-novel-crystal-growth-strategies
#37
JOURNAL ARTICLE
Andrei Ushkov, Andrey Machnev, Pavel Ginzburg
Controllable continuous release of functional materials from capsules is one of the unmet functions of theragnosis particles; on this way, understanding cargo-fluid interactions in vitro is an essential milestone. We develop a flexible platform to investigate single particle-fluid interactions utilizing a glass micropipette as a highly localized flow source around an optically trapped particle. In proof-of-concept experiments, this microparticle is sensitive to local microflow distribution, thus serving as a probe...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937189/memory-effect-by-melt-crystallization-observed-in-polymorphs-of-a-benzothieno-benzothiophene-derivative
#38
JOURNAL ARTICLE
Ann Maria James, Alessandro Greco, Félix Devaux, Nemo McIntosh, Patrick Brocorens, Jérôme Cornil, Priya Pandey, Birgit Kunert, Lucia Maini, Yves Henri Geerts, Roland Resel
This work provides a comprehensive illustration of a crystalline melt memory effect recorded for three solvates of the 2,7-bis(2-(2-methoxyethoxy)ethoxy)benzo[ b ]benzo[4,5] thieno[2,3- d ]thiophene (OEG-BTBT) molecule with dichloromethane (DCM) molecules. Combined optical microscopy and X-ray diffraction measurements at different temperatures are used to get an overview of the structural and morphological properties like melting points, isotropic transition temperatures, induction times, and crystallization kinetics of the three forms...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937188/metronidazole-cocrystal-polymorphs-with-gallic-and-gentisic-acid-accessed-through-slurry-atomization-techniques-and-thermal-methods
#39
JOURNAL ARTICLE
Aleksandra J Dyba, Ewa Wiącek, Maciej Nowak, Jan Janczak, Karol P Nartowski, Doris E Braun
In this study, key features of metronidazole (MNZ) cocrystal polymorphs with gallic acid (GAL) and gentisic acid (GNT) were elucidated. Solvent-mediated phase transformation experiments in 30 solvents with varying properties were employed to control the polymorphic behavior of the MNZ cocrystal with GAL. Solvents with relative polarity (RP) values above 0.35 led to cocrystal I°, the thermodynamically stable form. Conversely, solvents with RP values below 0.35 produced cocrystal II, which was found to be only 0...
November 1, 2023: Crystal Growth & Design
https://read.qxmd.com/read/37937187/effect-of-extra-framework-anion-substitution-on-the-properties-of-a-chiral-crystalline-sponge
#40
JOURNAL ARTICLE
Chenghua Deng, Bai-Qiao Song, Debobroto Sensharma, Mei-Yan Gao, Andrey A Bezrukov, Varvara I Nikolayenko, Matteo Lusi, Soumya Mukherjee, Michael J Zaworotko
Chiral metal-organic materials, CMOMs, are of interest as they can offer selective binding sites for chiral guests. Such binding sites can enable CMOMs to serve as chiral crystalline sponges (CCSs) to determine molecular structure and/or purify enantiomers. We recently reported on the chiral recognition properties of a homochiral cationic diamondoid, dia, network {[Ni( S -IDEC)(bipy)(H2 O)][NO3 ]} n ( S -IDEC = S -indoline-2-carboxylicate, bipy = 4,4'-bipyridine), CMOM-5[NO 3 ] . The modularity of CMOM-5[NO 3 ] means there are five feasible approaches to fine-tune structures and properties via substitution of one or more of the following components: metal cation (Ni2+ ); bridging ligand ( S -IDEC); linker (bipy); extra-framework anion (NO3 - ); and terminal ligand (H2 O)...
November 1, 2023: Crystal Growth & Design
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