Listar Artículos (Química Física) por título
Mostrando ítems 109-128 de 257
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Halide encapsulation by dicarboxylate oxido-vanadium cage complexes
(The Royal Society of Chemistry, 2018)Compounds [Bu4N]2[V8O16(oda)4⊂2Cl], 1, [Bu4N]2[V8O16(glut)4⊂2Cl], 2, and [Bu4N][V4O8(glut)2⊂F], 3, (oda = oxydiacetate, ...
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Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring
(Royal Society of Chemistry, 2023-07-20)Nanostructuring is a well-established approach to improve the thermoelectric behavior of materials. However, its effectiveness ...
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High catalytic activity of Au/CeO x/TiO 2(110) controlled by the nature of the mixed-metal oxide at the nanometer level
(National Academy of Sciences, 2009)Mixed-metal oxides play a very important role in many areas of chemistry, physics, materials science, and geochemistry. ...
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High-performance luminescent solar concentrators based on poly(Cyclohexylmethacrylate) (PCHMA) films
(Multidisciplinary Digital Publishing Institute (MDPI), 2020)In this study, we report on the use of poly(cyclohexylmethacrylate) (PCHMA) as an alternative to the commonly used ...
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High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites
(American Chemical Society, 2024)Thermal and electronic transport properties are the keys to many technological applications of materials. Thermoelectric, ...
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High-throughput screening of the thermoelastic properties of ultrahigh-temperature ceramics
(American Chemical Society, 2021)Ultrahigh-temperature ceramics (UHTCs) are a group of materials with high technological interest because of their applications ...
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Host-guest interactions between cyclodextrins and surfactants with functional groups at the end of the hydrophobic tail
(Elsevier, 2017)The aim of this work was to investigate the influence of the incorporation of substituents at the end of the hydrophobic ...
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How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
(Royal Society of Chemistry, 2023-07-31)The deposition of a prototypical spin-crossover [Fe(phen)2(NCS)2] complex on Au(111), Cu(111) and Ag(111) surfaces has ...
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Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites
(Hindawi, 2017)The effect of the incorporation of into the CH3 sites of the tetragonal perovskite CH3NH3PbI3 is analysed. Also, how it ...
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Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential
(ACS, 2017-10-20)Permanent geological repositories lined with bentonite, a montmorillonite-containing clay, is one of the options considered ...
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Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
(American Chemical Society, 2021)The physicochemical properties of the three heaviest alkaline-earth cations, Sr2+, Ba2+, and Ra2+ in water have been studied ...
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Hydration Structure of the Elusive Ac(III) Aqua Ion: Interpretation of X-ray Absorption Spectroscopy (XAS) Spectra on the Basis of Molecular Dynamics (MD) Simulations
(American Chemical Society, 2019)Knowledge of actinoid solution chemistry hasbeen enriched with the recent synthesis and characterizationof the elusive ...
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Identifying Coordination Geometries of Metal Aquaions in Water: Application to the Case of Lanthanoid and Actinoid Hydrates
(American Chemical Society, 2016)The angular distribution function (ADF) associated with the oxygen-metal ion-oxygen angle (OMO) of several trivalent ...
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Impact of the number of fitted Debye-Waller factors on EXAFS fitting
(IOP Publishing, 2013)EXAFS fit applied to asymmetric systems may imply the fit of parameters for many scattering paths. We illustrate on some ...
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Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design
(The Royal Society of Chemistry, 2018)In the last ten years, there has been an acceleration in the pace at which new catalysts for the watergas shift reaction ...
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In situ Fourier transform infrared reflection absortion spectroscopy study of adenine adsorption on gold electrodes in basic media
(Elsevier, 2014)Summary In situ Fourier transform infrared reflection absortion spectroscopy (FT-IRRAS) has been used in the external ...
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In situ surface enhanced infrared absorption spectroscopy study of the adsorption of cytosine on gold electrodes
(Elsevier, 2019-09-15)The structural facilities provided by the ‘in situ’ Surface-Enhanced Infrared Absorption Spectroscopy in the Attenuated ...
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In situ surface-enhanced infrared spectroscopy study of adenine-thymine co-adsorption on gold electrodes as a function of the pH
(Elsevier, 2018-06-15)In situ attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS) has been used to study ...
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Induction of Apoptosis and Cell Cycle Arrest in Human Colon Carcinoma Cells by Corema album Leaves
(SAGE Publications, 2014)The leaves of Corema album (Ericaceae), an endemic shrub which grows in Atlantic coastal areas of the Iberian Peninsula, ...
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Influence of temperature on the interaction between Pd clusters and the TiO2 (110) surface
(American Physical Review, 2007-08-06)The behavior of a Pd nanocluster on the rutile TiO2 (110) surface has been analyzed by extensive first principles molecular ...