Search results for "Crystal"
showing 10 items of 22886 documents
Optoelectronic devices based on caesium lead halide perovskite nanocrystals
2020
Tradicionalmente, la implementación de materiales activos en circuitos fotónicos integrados se ha basado en la utilización de semiconductores III-V y vidrios y materiales ferroeléctricos dopados con iones de tierras raras. Sin embargo, en la actualidad existe una alternativa basada en (nano) materiales sintetizados por técnicas de química coloidal. La posibilidad de procesar nanomateriales en solución permite fabricar semiconductores con propiedades ópticas (emisión, absorción, dispersión de luz) que pueden diseñarse durante la síntesis. Además, su naturaleza coloidal permite integrarlas en cualquier arquitectura óptica mediante sencillas técnicas de impresión en tinta. En este contexto, lo…
CCDC 1922191: Experimental Crystal Structure Determination
2019
Related Article: Julian Radtke, Kai Schickedanz, Marcel Bamberg, Luigi Menduti, Dieter Schollmeyer, Michael Bolte, Hans-Wolfram Lerner, Matthias Wagner|2019|Chemical Science|10|9017|doi:10.1039/C9SC03115D
Blends of Semiflexible Polymers: Interplay of Nematic Order and Phase Separation
2021
Mixtures of semiflexible polymers with a mismatch in either their persistence lengths or their contour lengths are studied by Density Functional Theory and Molecular Dynamics simulation. Considering lyotropic solutions under good solvent conditions, the mole fraction and pressure is systematically varied for several cases of bending stiffness κ (the normalized persistence length) and chain length N. For binary mixtures with different chain length (i.e., NA=16, NB=32 or 64) but the same stiffness, isotropic-nematic phase coexistence is studied. For mixtures with the same chain length (N=32) and large stiffness disparity (κB/κA=4.9 to 8), both isotropic-nematic and nematic-nematic unmixing oc…
N,N-Dicyclohexylnitramine
2016
Molecules of the title compound, C12H22N2O2, are composed of an nitramine group substituted by two cyclohexane rings. The cyclohexane rings have chair conformations, with the exocyclic C—N bonds in axial orientations. In the crystal, C—H...O hydrogen bonds connect the molecules intoC(6) [-101] zigzag chains.
4-Fluoro-N-methyl-N-nitroaniline
2016
Molecules of the title compound, C7H7FN2O2, are composed of a nitramine group which is twisted with the respect to the aromatic ring, with an N—N—C—C torsion angle of −117.38 (12)°. In the molecule, the N—N bond length [1.3510 (15) Å] indicates some double-bond character, while the angle between the aromatic ring and the nitramine group rules out further delocalization in the molecule. In the crystal, C—H...F hydrogen bonds connect the molecules intoC11(6) chains along theaaxis. C—H...O hydrogen bonds form, which featureR22(12) loops and further connect these chains.
Crystal structure of trans-dichloridobis[N-(5,5-dimethyl-4,5-dihydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate
2017
The title complex, [PdCl2(C8H14N2O)2]2H2O, was obtained by N–O bond cleavage of the oxadiazoline rings of the trans-[dichlorido-bis(2,5,5-trimethyl- 5,6,7,7a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazole-N1 )]palladium(II) complex. The palladium(II) atom exhibits an almost square-planar coordination provided by two trans-arranged chloride anions and a nitrogen atom from each of the two neutral organic ligands. In the crystal, N—HO, O—HO and O—HCl hydrogen bonds link complex molecules into double layers parallel to the bc plane. peerReviewed
Crystal structure of
2017
The synthesis and crystal structure of the complex trans-[dichlorido-bis(N-(4,5-dihydro-5,5-dimethyl-3H-pyrrol-2-yl)acetamide)]palladium(II) dihydrate is described.
Direct Visualization of Molecule Deprotonation on an Insulating Surface
2012
Elucidating molecular-scale details of basic reaction steps on surfaces is decisive for a fundamental understanding of molecular reactivity within many fields, including catalysis and on-surface synthesis. Here, the deprotonation of 2,5-dihydroxybenzoic acid (DHBA) deposited onto calcite (101;4) held at room temperature is followed in situ by noncontact atomic force microscopy. After deposition, the molecules form two coexisting phases, a transient striped phase and a stable dense phase. A detailed analysis of high-resolution noncontact atomic force microscopy images indicates the transient striped phase being a bulk-like phase, which requires hydrogen bonds between the carboxylic acid moie…
Tracer migration in crystalline rock : application to geological barriers of nuclear waste storage
2016
This work deals with transport of radionuclides in the geosphere. The subject is investigated through characterisation of water conducting fractures, determining of rock transport properties and development of new methods for characterising geological samples. Here, as is often the case, radionuclide transport is investigated indirectly by characterising the structures, where the transport takes place, and directly by measuring transport properties in the gas phase. First water conducting fractures of three different types and the rock matrix surrounding them were analysed through rock samples from Olkiluoto. The analysis was done using X-ray tomography, the 14C-PMMA autoradiography techniq…
CCDC 1519226: Experimental Crystal Structure Determination
2017
Related Article: Sabrina Antonello, Tiziano Dainese, Fangfang Pan, Kari Rissanen, Flavio Maran|2017|J.Am.Chem.Soc.|139|4168|doi:10.1021/jacs.7b00568