National Institute Of Materials Physics - Romania

Nowadays, the development of devices based on organic materials is an interesting research challenge. The performance of such devices is strongly influenced by material selection, material properties, design, and the manufacturing process. Usually, buckminsterfullerene (C60) is employed as electron transport material in organic photovoltaic (OPV) devices due to its high mobility. However, considering its low solubility, there have been many attempts to replace it with more soluble non-fullerene compounds. In this study, bulk heterojunction thin films with various compositions of zinc phthalocyanine (ZnPc), a perylene diimide derivative, or C60 were prepared by matrix-assisted pulsed laser evaporation (MAPLE) technique to assess the influence of C60 replacement on fabricated heterostructure properties. The investigations revealed that the optical features and the electrical parameters of the organic heterostructures based on this perylene diimide derivative used as an organic acceptor were improved. An increase in the JSC value (4.3 x 10-4 A/cm2) was obtained for the structures where the perylene diimide derivative acceptor entirely replaced C60 compared to the JSC value (7.5 x 10-8 A/cm2) for the heterostructure fabricated only with fullerene. These results are encouraging, demonstrating the potential of non-fullerene compounds as electron transport material in OPV devices.

The synthesis of carbon quantum dots (CQDs) from high molecular weight biomass-derived precursors poses a significant challenge due to the complex molecular structures and low conversion efficiency. This work demonstrates a green, rapid, and sustainable continuous hydrothermal flow synthesis (CHFS) approach for nitrogen-doped carbon quantum dots (NCQDs) from various biomass-derived precursors, including high molecular weight polymeric sources like chitosan, lignin, and humic acid. We find that the precursor structure significantly impacts the size of the fabricated NCQDs and their optical properties. Citric acid, a low molecular weight precursor, yields NCQDs with excitation-independent emission, higher quantum yields, and low non-radiative losses, while NCQDs derived from polymeric precursors exhibit excitation-dependent, red-shifted, and lower efficiency emission. Theoretical calculations, performed to understand the configuration and distribution of nitrogen dopants within the NCQD structure, show that pyridinic and graphitic nitrogen atoms exhibit a strong preference to aggregate near the centre of the edge of the NCQD and not in the vertices nor in the graphitic core, thus affecting the HOMO and LUMO, bandgap, and light absorption and emission wavelengths. The life cycle assessment (LCA) analysis highlights the green and scalable advantages of the CHFS process for producing NCQDs compared to batch methods, making it a sustainable and economically viable approach for large-scale NCQD synthesis from high molecular weight biomass-derived precursors. Hence, the combination of experimental data and theoretical calculations provides a comprehensive understanding of the structure-property relationships in these NCQDs.

This work examines the effect of incorporating a third cation M (M = Mg, Al, Mn, or Fe) into Nb-promoted NiO catalysts (Ni0.85Nb0.15O) on their physicochemical properties and catalytic performance in the oxidative dehydrogenation (ODH) of ethane into ethylene. Therefore, a series of mixed oxides with the composition Ni0.765Nb0.135M0.1O was synthesized, characterized, and analyzed for catalytic behavior. The addition of the third cation markedly modified the redox and semiconductive properties of the catalysts, thus affecting their ODH performance. The selectivity toward ethylene was strongly dependent on the cation modifier, as it modulated the density of nonselective sites on the catalyst surface. In the low-temperature region, Mn-NiNbO demonstrated the highest conversion rates but with the lowest ethylene selectivity, whereas Fe-NiNbO, despite being less active than the undoped NiNbO, exhibited the highest ethylene selectivity. Overall, undoped NiNbO emerged as the best catalyst in terms of both activity and selectivity at isoconversion. All catalysts underwent partial reduction under reaction conditions, with the degree of reduction inversely correlated with the specific reaction rates. Although none of the catalysts remained stable at 400 degrees C, Al-NiNbO showed the least deactivation over time. The deactivation was linked to a reduction in p-type conductivity and a loss of redox functionality during operation.

Rare-earth doped GdF3 nanocrystals embedded in silica glassy matrix have been prepared by controlled crystallization of the xerogel; the influence of rare-earth ion (Pr, Sm, Eu, Tb, Dy, Er, Yb) and additional Li-codopant on structural and optical properties was discussed. The precipitation of RE-doped GdF3 nanocrystalline phase is the result of Gd-trifluoracetate thermolysis revealed as a strong exothermic peak at around 300 degrees C. Structural analysis of RE-doped SiO2-GdF3 glass-ceramic sample calcined at 525 degrees C showed the occurrence of GdF3 nanocrystals of about 25 nm size, showing hexagonal or orthorombic structure depending on the RE-ion. Under UV-light excitation at 273 nm of Gd3+ ions (S-8(7/2) -> I-6(13/2,15/2) transition), photoluminescence spectra showed characteristic RE3+ luminescence due to the non-radiative energy transfer between the excited Gd3+ and acceptor RE ions; the highest energy transfer (congruent to 80 %) was observed for Tb3+ and lowest (congruent to 21 %) for Sm3+.

Atomically clean SrTiO3(001) is characterized by low energy electron diffraction, core level and valence band photoelectron spectroscopy, the latter also with spin resolution. Samples prepared by a sputtering-annealing procedure exhibited in-gap states in the valence band spectra, Ti3+ components in Ti 2p core level spectra and a noticeable spin asymmetry in the 3-9 eV binding energy range, which corresponds to valence states of mainly O 2p character. Upon annealing in oxygen, the spin asymmetry vanishes, accompanied by the intensity decrease of the contribution of titanium low ionization states and of in-gap states, indicating that these three phenomena are mutually connected. The observed spin asymmetry may be generated by indirect exchange mediated by the in-gap states between O 2p orbitals, or by the partial Ti 3d character of these states, which acquire non-zero spin in case of incomplete oxygen coordination.

We study the dependence of photo-spectral intensity on tri- and multilayers of SiO2/[SiGe [ dSiGe]/SiO2]N with repetitions N = 1 to 10 and thicknesses dSiGe=5-100 nm. Photocurrent analysis reveals a bimodal spectral feature. A comparison of the photocurrent analysis between tri- and multilayers shows that in the multilayer structures, the photo-spectral intensity increases with increasing repetition N. The change in intensity could then be further tuned by changing the thickness of the SiGe layers dSiGe. We attribute the change in intensity to an increase in tensile strain, along with increased Ge atomic concentration and reduced SiGe-nano cluster size.

This study investigates polycrystalline samples of TiFe2-xRexSn (with x = {0, 0.02, 0.04, 0.06, 0.2}) synthesized using conventional arc-melting and spark plasma sintering. Structural and morphological analysis shows that low Re substitutions result in good phase purity with minor traces of secondary phases, while higher Re content leads to the segregation of additional phases. The magnetism and electrical resistivity of the samples are affected by inherent Fe-Ti atomic disorder, with the effects of secondary phases becoming more prominent in the samples with higher Re content. The Seebeck coefficient values increase only for TiFe1.98Re0.02Sn, while the power factor increases for x = {0, 0.02, 0.04}, reaching maximal values for x = 0.02 at similar to 300 K and x = 0.04 at similar to 325 K, i.e., (2.22 +/- 0.2) x 10(-4) Wm(-1) K-2. The thermal conductivity of the samples increases with x, resulting in modest values of the figure of merit, with the maximum achieved for x = 0.02 at 325 K, i.e., 0.015 +/- 0.002. (c) The Author(s) 2024

In this work, single-phase Te-doped CoSb3 polycrystalline bulk (Indium powder) and nanocomposites (alpha-WC nanopowder) were synthesized via a ball milling, hand-grinding and consolidated by spark plasma sintering technique. The thermoelectric and mechanical characteristics of as-synthesized composites were studied. The electrical resistivity varies between 11.82 and 12.82 mu Omega-m for CoSb2.875Te0.125 + x (x = 0.33% In, 1% In, 2% In, 4% In and 1% In + 0.33% alpha-WC, respectively) composites. At temperature of 300 K, composite with x = 1% In exhibit the lowest resistivity of 11.82 mu Omega-m. Also, negative values of Seebeck coefficients confirm that electrons are the predominant charge carriers. The maximum power factor of 2566 and 2482 mu Wm-1 K-2 are observed from x = 1% In and x = 1% In + 0.33% alpha-WC composites at 673 K, respectively. Notably, the power factor of 1% In and 1% In + 0.33% alpha-WC composites is slightly higher (1.05 times) than the CoSb2.875Te0.125 sample. The composites with lowest weight percent of 1% In and 1% In + 0.33% alpha-WC have a considerably improved power factor. For the composite with x = 1% In + 0.33% alpha-WC, the minimum thermal conductivity of 2.32 W/m-K at 300 K was achieved through a combination of doping and dispersion in the CoSb2.875Te0.125 matrix. It is possible that the multi-scale size distributions of grains will reduce the lattice thermal conductivity by scattering phonons over a large wavelength range. As a result, an increased figure of merit of 0.82 was achieved for CoSb2.875Te0.125 + 1% In + 0.33% alpha-WC composites at 823 K. The results suggest that the doping with composite approach could boost thermoelectric efficiency in n-type CoSb3-based materials.

15 at.% Yb3+:YAG/YAG transparent composite ceramics with a coaxial geometry were synthesized by a ceramic forming method combined with the reactive sintering at 1800 degrees C. Densification peculiarities, microstructure, optical properties, and laser characteristics of composite ceramic samples were studied. Powder mixtures of Yb3+:YAG and YAG stoichiometric compositions demonstrate almost the same densification enabling uniform shrinkage of composite without differential sintering. It was shown that in-line optical transmittance of 15 at.% Yb3+:YAG/YAG composite ceramics reaches 80 % at 1030 nm wavelength. The effective diffusion coefficient of Yb3+ ions in garnet structure has been determined. Efficient laser emission was generated from Yb3+:YAG/YAG composite ceramics with a slope efficiency of eta(sa) = 0.30.

There has been increased interest in the synthesis of benfotiamine during the past few years, most likely as a direct consequence of growing market demand. It has much higher bioavailability than thiamine (vitamin B1) and therefore is more suitable for therapeutic purposes, especially in oral form. We report herein our research in an academic-private R&D project in which we investigate all aspects of the process on small and large scales. The procedure involves two labor-intensive steps, starting from thiami3ne chloride hydrochloride with the key intermediate thiamine monophosphate phosphate (TMP-the phosphate ester of thiamine monophosphate). We obtained the crystalline form of benfotiamine directly from the synthesis in the crystalline form required on the market, as proven by XRD powder spectroscopy, IR, and RAMAN.