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Why Ultrafast Photoinduced CO Desorption Dominates over Oxidation on Ru(0001)
(American Chemical Society, 2022-09)
CO oxidation on Ru(0001) is a long-standing example of a reaction that, being thermally forbidden in ultrahigh vacuum, can be activated by femtosecond laser pulses. In spite of its relevance, the precise dynamics of the ...
Different promoting roles of ruthenium for the oxidation of primary and secondary alcohols on PtRu electrocatalysts
(Elsevier, 2021-06-17)
This study shows remarkably different features between the oxidation of secondary and primary C3-C5 alcohols. The oxidation of primary alcohols is controlled by the oxidative removal of blocking adsorbates, such as CO, ...
Dressing enzymes with tailored nanogels as a versatile approach for the development of heterogeneous biocatalysts.
(2022-12-16)
El número de aproximaciones para la inmovilización de enzimas está creciendo rápidamente debido a los avances en el campo de la biotecnología, la química de polímeros y la nanotecnología. Las enzimas son excelentes ...
Anodic and Cathodic Platinum Dissolution Processes Involve Different Oxide Species
(Wiley, 2023-08)
The degradation of Pt-containing oxygen reduction catalysts for fuel cell applications is strongly linked to the electrochemical surface oxidation and reduction of Pt. Here, we study the surface restructuring and Pt ...
Theoretical characterization of new dynamic bonds for responsive materials and their optical properties
(2023-06-16)
En esta tesis, hemos investigado diferentes tipos de enlaces dinámicos como FLP-linker y las interacciones metal-ligando con propiedades mecánicas favorables para su incorporación en materiales poliméricos. Además de esto, ...
Anomalous magnetic behavior in half-metallic Heusler Co2FeSi alloy glass-coated microwires with high Curie temperature
(Elsevier, 2022-11)
In the current study, we have succeeded to fabricate Co2FeSi Heusler alloy glass-covered microwires with magnetic core nucleus diameter d = 4.36 mu m and total diameter D = 17.55 mu m, with high Curie temperature (T-e > ...
Electronic Descriptors for Supervised Spectroscopic Predictions
(American Chemical Society, 2023-03)
Spectroscopic properties of molecules hold great importance for the description of the molecular response under the effect of UV/vis electromagnetic radiation. Computationally expensive ab initio (e.g., MultiConfigurational ...
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
(American Chemical Society, 2023-02)
First principles theoretical modeling of out-of-equilibrium processes observed in attosecond pump–probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, especially for ...
Waterborne hybrid polyurethane coatings containing Casein as sustainable green flame retardant through different synthesis approaches
(Elsevier, 2023-01)
Waterborne polyurethane (WPU) dispersions were prepared for flame retardant coatings. Specifically, alkoxysilane-capped polycaprolactone-based WPUs were synthesized employing the acetone process, and Casein, as a green and ...
Microscopic versus Macroscopic Glass Transitions and Relevant Length Scales in Mixtures of Industrial Interest
(American Chemical Society, 2023-02)
We have combined X-ray diffraction, neutron diffraction with polarization analysis, small-angle neutron scattering (SANS), neutron elastic fixed window scans (EFWS), and differential scanning calorimetry (DSC) to investigate ...