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Now showing items 81-90 of 105
On the dynamics of polymers and biomolecules through the use of machine learning algorithms
(2023-10-25)
El diseño y desarrollo de nuevos materiales con propiedades mecánicas, químicas o fisicoquímicas específicas a menudo involucra procesos que demandan una considerable inversión de tiempo y dinero, entre otros recursos. Por ...
Quantum-Size Effects in Ultra-Thin Gold Films on Pt(111) Surface
(MDPI, 2023-12-22)
We calculate, within the density-functional theory, the atomic and electronic structure of the clean Pt(111) and Au(111) surfaces and the nML-Au/Pt(111) systems with n varying from one to three. The effect of the spin–orbital ...
Unveiling the Synergy of Coupled Gold Nanoparticles and J-Aggregates in Plexcitonic Systems for Enhanced Photochemical Applications
(MDPI, 2023-12-22)
Plexcitonic systems based on metal nanostructures and molecular J-aggregates offer an excellent opportunity to explore the intriguing interplay between plasmonic excitations and excitons, offering unique insights into ...
Thioetherification of Br-Mercaptobiphenyl Molecules on Au(111)
(American Chemical Society, 2023-02)
Thioether polymers are fundamental for a variety of applications. Their synthesis is, however, more challenging than that of other metal-catalyzed reactions due to the reported detachment of the S atom during thermal ...
Spin-to-charge current interconversion in highly resistive sputtered bismuth selenide
(2023-11-27)
In this thesis, we characterize sputtered BiSe by several SCI techniques. Our first approach is one of the best known techniques, spin pumping. Chapter 4 presents the SCI results in sputtered BiSe by the spin pumping ...
Stacking and Their Boundaries in Few-layer Graphene: Stability and Electronic Properties in Bi- and Trilayer Graphene.
(2023-02-20)
Las observaciones experimentales de grafeno de pocas capas muestran propiedades electrónicas notables. Sin embargo, para mantener estas propiedades, el orden de apilamiento debe mantenerse a lo largo de todos los procesos. ...
Nanoscale physical properties of polymer thin films for energy applications.
(2023-01-31)
Los compuestos poliméricos constituyen una gran variedad de productos que pueden presentar nanoestructuras supramoleculares complejas, las cuales determinan sus comportamiento tanto en bulk cuanto bajo las condiciones de ...
Microscopic Evidence for the Topological Transition in Model Vitrimers
(ACS, 2023-11)
In addition to the glass transition, vitrimers undergo a topological transition from viscoelastic liquid to viscoelastic solid behavior when the network rearrangements facilitated by dynamic bond exchange reactions freeze. ...
Semiconducting polymer nanoporous thin films as a tool to regulate intracellular ROS balance in endothelial cells
(ACS, 2023-07)
The design of soft and nanometer-scale photoelectrodes able to stimulate and promote the intracellular concentration of reactive oxygen species (ROS) is searched for redox medicine applications. In this work, we show ...
Synthesis, morphology, and crystallization kinetics of polyheptalactone (PHL)
(ACS, 2023-06)
Aliphatic polyesters are widely studied due to their excellent properties and low-cost production and also because, in many cases, they are biodegradable and/or recyclable. Therefore, expanding the range of available ...