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Insights on the Atmospheric-Pressure Plasma-Induced Free-Radical Polymerization of Allyl Ether Cyclic Carbonate Liquid Layers
(MDPI, 2021-08-25)
Plasma-induced free-radical polymerizations rely on the formation of radical species to initiate polymerization, leading to some extent of monomer fragmentation. In this work, the plasma-induced polymerization of an allyl ...
How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring**
(Wiley, 2021-11-02)
Large conjugated rings with persistent currents are novel promising structures in molecular-scale electronics. A six-porphyrin nanoring structure that allegedly sustained an aromatic ring current involving 78 pi electrons ...
Polyether Single and Double Crystalline Blends and the Effect of Lithium Salt on Their Crystallinity and Ionic Conductivity
(MDPI, 2021-06-25)
In this work, blends of Poly(ethylene oxide), PEO, and poly(1,6-hexanediol), PHD, were prepared in a wide composition range. They were examined by Differential Scanning Calorimetry (DSC), Polarized Light Optical Microscopy ...
Reducing Passive Drug Diffusion from Electrophoretic DrugDelivery Devices through Co-Ion Engineering
(Wiley, 2021-06)
Implantable electrophoretic drug delivery devices have shown promise for applications ranging from treating pathologies such as epilepsy and cancer to regulating plant physiology. Upon applying a voltage, the devices ...
Substrate-enhanced and subsurface infrared near-field spectroscopy of organic layers
(2021-01-18)
La nano-espectroscopía infrarroja, basada en espectroscopía de transformada de Fourier de campo cercano (nano-FTIR), es una herramienta potente que permite la identificación química de materiales con una resolución espacial ...
Computational study of Aromaticity in Porphyrinoid Systems and Photosensitizers from Chemical Bonding Descriptors
(2021-07-23)
La presente tesis está dividida en dos bloques. El primer bloque se centra en una de las propiedadesafectadas por el error de deslocalización, la aromaticidad, presente en algunas aproximaciones delfuncional de la densidad. ...
Structure and Function in Single-Chain Nanoparticles
(2021-11-05)
Esta tesis profundiza en la comprensión de las nanopartículas poliméricas unimoleculares (SCNPs, por sus siglas en inglés) como nano-objetos blandos complejos con aplicaciones potenciales en varios campos, especialmente ...
Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials
(MDPI, 2021-05-14)
In recent years, responsive materials including dynamic bonds have been widely acclaimed due to their expectation to pilot advanced materials. Within these materials, synthetic polymers have shown to be good candidates. ...
Role of dispersion interactions in Endohedral TM@(ZnS)12 structures
(American Chemical Society, 2021-06-17)
[EN] II−VI semiconducting materials are gaining attention due to
their optoelectronic properties. Moreover, the addition of transition metals,
TMs, might give them magnetic properties. The location and distance of the
TM ...
Theoretical study of dichalcogenides as building blocks for efficient self-healing materials
(2021-07-21)
In this thesis, the self-healing properties of a great variety of dichalcogenide-based materials including homonuclear S-S and Se-Se, and heteronuclear S-Se bonds, have been studied. In order to do so, both ab initio ...