We present a joint experimental and theoretical study for complete spectroscopic characterization and optoelectronic properties of lead iodide. Experimentally, we combine X-ray diffraction experiments to elucidate the structure with photoelectron spectroscopy to explore its electronic structure. Computationally, simulations are performed in the frame of density functional theory.
View Article and Find Full Text PDFWe present the design and synthesis of two new organic polymer films making use of a liquid-liquid interfacial amine-acid chloride polymerization strategy. One of them was additionally functionalized by the anchoring of -phenyl-phenothiazine through a monomer truncation strategy, which endowed it with photocatalytic activity. This photoactive film displays interesting luminescence phenomena that were used for the oxidation of a variety of sulphides to their corresponding sulfoxides and reduction of aryl bromines.
View Article and Find Full Text PDFDuring the past decade, due to their large number of technological applications, a large number of research studies have been devoted to CdSe nanocrystal (NC) systems. Most of the studies of NC grown on substrates present in the literature correspond to a submonolayer coverage. However, interparticle interactions and, consequently, system morphology and its properties can change at higher coverage regime.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2018
We performed a systematic study of electron-acceptor molecules in two closely related organometallic solids, namely, CuTCNQ and AgTCNQ. These studies were performed using both an experimental approach, via the use of electron spectroscopies (XPS and UPS), and a theoretical approach, via the use of ab initio DFT calculations. From these results, a complete description of the electronic structure of these molecular solid-films could be given, identifying the characteristic electronic and structural features of each part of the molecules and their contribution to the final electronic structure.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2018
In this article, we perform systematic research on the electronic structure of two closely related organic electron acceptor molecules (TCNQ and TCNE), which are of technological interest due to their outstanding electronic properties. These studies have been performed from the experimental point of view by the use electron spectroscopies (XPS and UPS) and supported theoretically by the use of ab-initio DFT calculations. The cross-check between both molecules allows us to identify the characteristic electronic features of each part of the molecules and their contribution to the final electronic structure.
View Article and Find Full Text PDFThe structure and stability of adenine crystals and thin layers has been studied by using scanning tunneling microscopy, X-ray diffraction, and density functional theory calculations. We have found that adenine crystals can be grown in two phases that are energetically quasi-degenerate, the structure of which can be described as a pile-up of 2D adenine planes. In each plane, the structure can be described as an aggregation of adenine dimers.
View Article and Find Full Text PDFThe growth of adenine on Au(111) from the submonolayer up to several microns film thickness is studied by combining STM and surface X-ray diffraction techniques. The study shows that adenine thin films are composed of highly textured crystallites with the reported α-adenine crystal structure in such a way that they only exhibit (001)-faces. Such faces, with chiral p2 symmetry planes, have an average size of 15 nm.
View Article and Find Full Text PDFCeramides are particularly abundant in the stratum corneum lipid matrix, where they determine its unusual mesostructure, are involved in the lateral segregation of lipid domains in biological cell membranes, and are also known to act as signaling agents in cells. The importance attributed to ceramides in several biological processes has heightened in recent years, demanding a better understanding of their interaction with other membrane components, namely, cholesterol. Structural data concerning pure ceramides in water are relatively scarce, and this is even more the case for mixtures of ceramides with other lipids commonly associated with them in biological systems.
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