Materials Literature
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Modelli di rete elastica sono molto utilizzati per descrivere la dinamica intrinseca di una proteina attraverso l'analisi dei modi normali di oscillazione. Nonostante la loro semplicita permettono infatti di riprodurre e predire movimenti collettivi fondamentali per la funzionalita biologica della proteina. In questo…
DNA has become very attractive as scaffold for functional molecules on the nanometre scale.1 The sequence specific insertion of modified nucleotides using automated DNA synthesis allows for the creation of new designer molecules with a wide range of potential applications. We have established a general synthetic route…
In this study, we synthesized Ag₂Se nanoparticles (NPs) in an aqueous solution and investigated the thermoelectric characteristics of Ag₂Se NPs thin films on plastic substrates. Regardless of thermal annealing treatment, all the Ag2Se NPs thin films show the negative Seebeck coefficients, indicating the n-type charact…
The present work is devoted to the study of the structural-phase state of the brazed joints of dissimilar materials obtained by rapidly quenched filler metals before and after tests in the working conditions. The constructive elements of the International Thermonuclear Experimental Reactor (ITER) working chamber were…
L’objectif de cette these est de modeliser en temps reel la propagation d’un incendie dans des ensembles comportant un grand nombre de locaux. Un modele semi-physique de reseau polydisperse amorphe prenant en compte les connexions a courte et longue distances entre sites, est propose. Les phenomenes physiques lies au…
Neutral or alkaline papermaking provides many advantages in paper strength and processing conditions. It also provides the opportunity of using calcium carbonate fillers in papermaking. These diverse advantages have made almost all paper machines of printing and writing papers run under neutral and alkaline conditions…
Photocatalysis has attracted an enormous amount of research interest, in especially with regard to applications such as solar hydrogen generation as well as pollutant degradation. Main research target is the development of corrosion-stable core candidate materials that are able to perform under the abundant visible li…
The endohedral metallofullerene (EMF) self-assembly process in Sc/carbon vapor in the presence and absence of an inert cooling gas (helium) is systematically investigated using quantum chemical molecular dynamics simulations. It is revealed that the presence of He atoms accelerates formation of pentagons and hexagons…
Linear and star-shaped molecules based on p-conjugated chromophores containing a polycyclic aromatic core, with the adequate HOMO LUMO energy orbitals, have generated significant interest for use in optoelectronic devies due to their properties of isotropic absorption and strong tendency to stack into quasi-1D columns…
Graphene derivatives are expected to be crucial for finding new properties beyond pure graphene. Selectively sensing of molecules or macromolecules is one exciting example. However, the chemical toolbox giving control over the type and degree of functionalization of graphene, on the single layer level, is far from bei…
In the present work, carbon and niobium oxide/carbon supported the Pt and PtCo catalysts (denoted as Pt/C, PtNb2O5/C and PtCoNb2O5/C) were fabricated by means of the rapid microwave heating method. The synthesized catalysts were examined by transmission electron microscopy, X-ray diffraction and inductively coupled op…
CO2 emissions are a significant environmental problem which has garnered global interest from both the scientific and political community. One method to reduce emissions is to capture CO2 and convert it to useful products, such as chemical feed-stocks. A method to achieve this is via co-electrolysis of CO2 and H2O, us…
Introduction: The properties of supercritical carbon dioxide (scCO2) have made it attractive in numerous industries and in a variety of applications [1-3]. The need for compatibility of materials with scCO2 has been identified as a stumbling block for even wider application in industry [4-6]. An expanded understanding…
In polymer membrane fuel cells (PEMFC) the performance as well as the degradation strongly depends on the water balance inside the fuel cell. The membrane must be humidified for a sufficient ion conductivity, but on the other side the excess product water needs to be removed from the fuel cell in order to avoid floodi…
Carbon nanotubes have strong assets for future integrated single-photon sources since their working wavelength can easily be tuned to the telecom C band by choosing an appropriate diameter [1]. In addition, they show a pronounced antibunching both at low and room temperature[2,3]. Nevertheless, the practical implement…
In polymer crystals (in particular, polyethylene), changes in the axial and contour lengths of skeletal interatomic bonds in chain molecules under mechanical loading (stretching) and heat treatment (heating) were measured using X-ray diffractometry and Raman spectrometry. The performed analysis of the measured force a…
The alkaline membrane fuel cells (AMFCs), which use the anion-exchange membranes to display the proton-exchange membranes with OH- anions instead of H+ ions, have aroused new interest due to their faster electrokinetics, lower fuel crossover, reduced CO poisoning, and use of non-precious metal catalysts 1,2.In the dev…
The modeling and simulation landscape for fuel-cells has increased dramatically over last years. A number of commercial and OpenSource (e.g. OpenFCST, FAST-FC, DuMux) software packages are available to the aspiring researcher or engineer in academia and industry. The complexity ranges from purely analytic models with…
The dimensional effect previously observed in various matrices for 2,6-polyphenylquinoline containing oxygen bridge and carbazolediyl groups is confirmed for phenylamine-containing 2,6-polyphenylquinolines with carbazole- and indolocarbazolediyl moieties in a polymethyl methacrylate matrix. The effect is observed from…
Their remarkable light absorption and energy transport characteristics make single-wall carbon nanotubes (SWNTs) intriguing candidates for photovoltaic applications. Here, we study the photophysical properties of polymer wrapped SWNT films with varying thickness, so as to help identify processes which may affect devic…