52 research outputs found

    Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb

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    Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional theory. First, we systematically compare energies and ground state volumes of chosen crystal structures and discuss possible transition paths to the bcc ground state structure and the energy landscape for tetragonal distortions. Furthermore, we discuss their stability by means of their phonon spectra and vibronic free energies. Second we analyze the impact of tantalum impurities on phase stability. Surprisingly we find new aspects of the energy landscape of the material which have been overlooked so far: A new local energy minimum on the bcc to omega transition path, a flat energy landscape with respect to uniaxial strain along [111] and a considerable stabilization of the sigma phase by Ta substitution

    Europium Clustering and Glassy Magnetic Behavior in Inorganic Clathrate-VIII Eu8Ga16Ge30

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    The temperature- and field-dependent, electrical and thermal properties of inorganic clathrate-VIII Eu8Ga16Ge30 were investigated. The type VIII clathrates were obtained from the melt of elements as reported previously. Specifically, the electrical resistivity data show hysteretic magnetoresistance at low temperatures, and the Seebeck coefficient and Hall data indicate magnetic interactions that affect the electronic structure in this material. Heat capacity and thermal conductivity data corroborate these findings and reveal the complex behavior due to Eu2+ magnetic ordering and clustering from approximately 13 to 4 K. Moreover, the low-frequency dynamic response indicates Eu8Ga16Ge30 to be a glassy magnetic system. In addition to advancing our fundamental understanding of the physical properties of this material, our results can be used to further the research for potential applications of interest in the fields of magnetocalorics or thermoelectrics

    Heterostructured Bismuth Telluride Selenide Nanosheets for Enhanced Thermoelectric Performance

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    The n-type semiconductor system Bi2Te3Bi2Se3 is known as a low-temperature thermoelectric material with a potentially high efficiency. Herein, a facile approach is reported to synthesize core/shell heterostructured Bi2Te2Se/Bi2Te3 nanosheets (NSs) with lateral dimensions of 1-3 mu m and thickness of about 50nm. Bi2Te3 and Bi2Se3, as well as heterostructured Bi2Te2Se/Bi2Te3 NSs are obtained via colloidal synthesis. Heterostructured NSs show an inhomogeneous distribution of the chalcogen atoms forming selenium and tellurium-rich layers across the NS thickness, resulting in a core/shell structure. Detailed morphological studies reveal that these structures contain nanosized pores. These features contribute to the overall thermoelectric properties of the material, inducing strong phonon scattering at grain boundaries in compacted solids. NSs are processed into nanostructured bulks through spark plasma sintering of dry powders to form a thermoelectric material with high power factor. Electrical characterization of our materials reveals a strong anisotropic behavior in consolidated pellets. It is further demonstrated that by simple thermal annealing, core/shell structure can be controllably transformed into alloyed one. Using this approach pellets with Bi2Te2.55Se0.45 composition are obtained, which exhibit low thermal conductivity and high power factor for in-plane direction with zT of 1.34 at 400K

    Transparent Power-Generating Windows Based on Solar-Thermal-Electric Conversion

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    Zhang Q, Huang A, Ai X, et al. Transparent Power-Generating Windows Based on Solar-Thermal-Electric Conversion. Advanced Energy Materials . 2021: 2101213.Integrating transparent solar-harvesting systems into windows can provide renewable on-site energy supply without altering building aesthetics or imposing further design constraints. Transparent photovoltaics have shown great potential, but the increased transparency comes at the expense of reduced power-conversion efficiency. Here, a new technology that overcomes this limitation by combining solar-thermal-electric conversion with a material's wavelength-selective absorption is presented. A wavelength-selective film consisting of Cs0.33WO3 and resin facilitates high visible-light transmittance (up to 88%) and outstanding ultraviolet and infrared absorbance, thereby converting absorbed light into heat without sacrificing transparency. A prototype that couples the film with thermoelectric power generation produces an extraordinary output voltage of approximate to 4 V within an area of 0.01 m(2) exposed to sunshine. Further optimization design and experimental verification demonstrate high conversion efficiency comparable to state-of-the-art transparent photovoltaics, enriching the library of on-site energy-saving and transparent power generation
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