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Beside their technological importance in soldering, the low melting eutectic alloys based on bismuth and indium have potential for commercial application in the field of phase- change materials (PCMs). In this respect, the knowledge of their microstructure and thermal properties such as melting temperature, latent heat of melting, supercooling tendency, thermal conductivity, etc. is of large importance. In this study, two ternary eutectic Bi-In-Sn alloys were investigated by means of scanning electron microscopy (SEM) with energy dispersive X-ray spectrometry (EDS) and differential scanning calorimetry (DSC). Microstructure of the prepared eutectic alloys was analyzed using SEM- EDS and identification of co-existing phases was done. Melting temperatures and latent heats of eutectic melting were measured using DSC technique. Experimentally obtained results were compared with the results of thermodynamic calculation according to CALPHAD (calculation of phase diagram) approach and good mutual agreement was obtained.

Beside their technological importance in soldering, the low melting eutectic alloys based on bismuth and indium have potential for commercial application in the field of phase- change materials (PCMs). In this respect, the knowledge of their microstructure and thermal properties such as melting temperature, latent heat of melting, supercooling tendency, thermal conductivity, etc. is of large importance. In this study, two ternary eutectic Bi-In-Sn alloys were investigated by means of scanning electron microscopy (SEM) with energy dispersive X-ray spectrometry (EDS) and differential scanning calorimetry (DSC). Microstructure of the prepared eutectic alloys was analyzed using SEM- EDS and identification of co-existing phases was done. Melting temperatures and latent heats of eutectic melting were measured using DSC technique. Experimentally obtained results were compared with the results of thermodynamic calculation according to CALPHAD (calculation of phase diagram) approach and good mutual agreement was obtained.

Facile sol–gel synthesis of Mo:BiVO4 thin films with optimized morphology results in reduced surface recombination and enhanced hole transfer efficiency.

Facile sol–gel synthesis of Mo:BiVO4 thin films with optimized morphology results in reduced surface recombination and enhanced hole transfer efficiency.

Fullerene-based materials are widely used as acceptor and electron transport layer materials in organic and planar perovskite solar cells. Modeling of electronic properties such as band alignment and charge transport for these applications is typically done using optimized geometries. Here, we estimate the effects of nuclear motions on band structure, and electron and hole transport in two prototypical fullerenes, C60 and C70. We model the dynamics in solid fullerenes using Density Functional Tight Binding and we use the Density Functional Theory based Projection of Monomer Orbitals on Dimer Orbitals (DIPRO) approach to estimate the effects on the charge transfer integral in the Marcus approximation. We show that room-temperature molecular dynamics cause a shift and spread of frontier orbital energies on the order of 0.1 eV, which leads to an increase by more than a factor of two in the Marcus exponent, and can cause a decrease by up to orders of magnitude in the overlap integral, leading, in most cases, to an overall decrease in the charge transport rate.

Fullerene-based materials are widely used as acceptor and electron transport layer materials in organic and planar perovskite solar cells. Modeling of electronic properties such as band alignment and charge transport for these applications is typically done using optimized geometries. Here, we estimate the effects of nuclear motions on band structure, and electron and hole transport in two prototypical fullerenes, C60 and C70. We model the dynamics in solid fullerenes using Density Functional Tight Binding and we use the Density Functional Theory based Projection of Monomer Orbitals on Dimer Orbitals (DIPRO) approach to estimate the effects on the charge transfer integral in the Marcus approximation. We show that room-temperature molecular dynamics cause a shift and spread of frontier orbital energies on the order of 0.1 eV, which leads to an increase by more than a factor of two in the Marcus exponent, and can cause a decrease by up to orders of magnitude in the overlap integral, leading, in most cases, to an overall decrease in the charge transport rate.

Abstract The new multicomponent Co-based catalysts with additives of group 8 metal and rare earth elements and supported on alumina have been tested in the dry and steam conversion of a model biogas. The processes were carried out in a flow quartz reactor under the following conditions: atmospheric pressure, a gas hourly space velocity of 1000 h−1 and temperatures of 300–800°C. The catalysts were characterised using electron microscopy, BET and X-ray analysis. The methane is almost completely converted in the dry reforming of biogas at T≤800°C. Synthesis gas with a ratio of H2/CO>1.0 is a main product of biogas reforming over the multicomponent catalysts studied. Adding steam in a feed composition increases both the methane conversion and the hydrogen yield at lower temperatures. Almost complete methane conversion occurs at T<750°C in the steam reforming of biogas. The catalysts are highly effective and exhibit stable activity throughout 100 h of continuous testing.