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Mostrando ítems 341-350 de 358
Artículo
How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
(Royal Society of Chemistry, 2023-07-27)
The deposition of a prototypical spin-crossover [Fe(phen)2(NCS)2] complex on Au(111), Cu(111) and Ag(111) surfaces has been investigated by means of periodic DFT+U calculations, with the aim of understanding how different ...
Artículo
Recursos TICs para la evaluación del proceso enseñanza-aprendizaje en clases prácticas de laboratorio
(Real e Ilustre Colegio Oficial de Farmacéuticos de Sevilla, 2023)
Recientemente, los recursos TICs han adquirido especial relevancia en la enseñanza universitaria debido a la gran variedad de contenido educativo que permiten generar en función de las necesidades de los estudiantes. ...
Artículo
Molecular-dynamics-based investigation of scattering path contributions to the EXAFS spectrum: The Cr3¿ aqueous solution case
(American Physical Society, 2001)
Extended x-ray absorption fine structure spectra were computed based on molecular-dynamics (MD) struc- tural data of a [ Cr(H2O)6 ]3+ aqueous solution using nonempirical cation-water potentials. An excellent re- production ...
Artículo
A Comparative Study between Hydrogen Peroxide Amperometric Biosensors Based on Different Peroxidases Wired by Os-Polymer: Applications in Water, Milk and Human Urine
(Multidisciplinary Digital Publishing Institute (MDPI), 2017)
Artículo
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 (SNIFTIRS method) and the internal (ATR-SEIRAS) reflection configurations to determine the pH influence, ...
Artículo
Interaction of Pd with α-Al2O3(0001): A case study of modeling the metal-oxide interface on complex substrates
(American Physical Society, 2002)
The Pd/α-Al2O3(0001) interface at low Pd coverage has been studied by a variety of theoretical methods and models at this metal-oxide interface. All results are consistent and predict a noticeable interaction dominated by ...
Artículo
Adsorption and activation of CO2 on Pt/CeOx/TiO2(110): Role of the Pt-CeOx interface
(Elsevier, 2021)
The adsorption and dissociation of CO2 on TiO2(110), CeOx/TiO2(110) and Pt/CeOx/TiO2(110) surfaces has been examined using Ambient Pressure X-ray Photoelectron Spectroscopy (AP-XPS). The substrates under study exhibited ...
Artículo
Understanding the Photocatalytic Properties of Pt/CeOx/TiO2: Structural Effects on Electronic and Optical Properties
(Wiley, 2019-06-07)
Ceria‐titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. ...
Artículo
Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension
(Springer Verlag, 2017)
Interfacial tension of some hydrocarbon/water systems, including a mixture of aliphatic and aromatic hydrocarbons, has been estimated on the basis of molecular dynamics simulations. The dependence of the interfacial ...
Artículo
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 lanthanoid and actinoid aquaions has been used to identify the most probable coordination geometry of ...