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Printed electronics implies the use of low-cost, scalable, printing technologies to fabricate electronic devices and circuits on flexible substrates, such as paper or plastics. The development of this new electronic is currently expanding because of the emergence of the internet-of-everything. Although lot of attention has been paid to functional inks based on organic semiconductors, another class of inks is based on nanoparticles obtained from exfoliated 2D materials, such as graphene and metal sulfides. The ultimate scientific and technological challenge is to find a strategy where the exfoliated nanoparticle flakes in the inks can, after solvent evaporation, form a solid which displays performances equal to the single crystal of the 2D material. In this context, a printed layer, formed from an ink composed of nano-flakes of TiS2 intercalated with hexylamine, which displays thermoelectric properties superior to organic intercalated TiS2 single crystals, is demonstrated for the first time. The choice of the fraction of exfoliated nano-flakes appears to be a key to the forming of a new self-organized layered material by solvent evaporation. The printed layer is an efficient n-type thermoelectric material which complements the p-type printable organic semiconductors The thermoelectric power factor of the printed TiS2/hexylamine thin films reach record values of 1460 µW m−1 K−2 at 430 K, this is considerably higher than the high value of 900 µW m−1 K−2 at 300 K reported for a single crystal. A printed thermoelectric generator based on eight legs of TiS2 confirms the high-power factor values by generating a power density of 16.0 W m−2 at ΔT = 40 K. [ABSTRACT FROM AUTHOR]

Electronic and transport properties of Bi2S3 with various dopants are studied using density functional theory and experimental characterizations. First, principle calculations of thermoelectric properties are used to evaluate the thermoelectric potential of the orthorhombic Bi2S3 structure. The computational screening of extrinsic defects is used to select the most favorable n-type dopants. Among all the dopants considered, hafnium and chlorine are identified as prospective dopants, whereas, e.g., germanium is found to be unfavorable. This is confirmed by experiment. Seebeck coefficient (S) and electrical conductivity (σ) measurements are performed at room temperature on pellets obtained by spark plasma sintering. An increase of power factors (S2·σ) from around 50 up to 500 μW K-2m-1 is observed for differently doped compounds. In several series of samples, we observed an optimum of power factor above 500 μW K-2m-1 at room temperature for a chlorine equivalence of 0.25 mol. % BiCl3. The obtained results are plotted on a semilogarithmic log (r) versus S graph to demonstrate that a very strong linear trend that limits the power factor around 500 μW K-2m-1 exists. Further improvement of Bi2S3 as thermoelectric material will require finding new doping modes that will break through the observed trend. The results of stability tests demonstrate that properties of optimally doped Bi2S3 are stable. [ABSTRACT FROM AUTHOR]

Electronic and transport properties of Bi2S3 with various dopants are studied using density functional theory and experimental characterizations. First, principle calculations of thermoelectric properties are used to evaluate the thermoelectric potential of the orthorhombic Bi2S3 structure. The computational screening of extrinsic defects is used to select the most favorable n-type dopants. Among all the dopants considered, hafnium and chlorine are identified as prospective dopants, whereas, e.g., germanium is found to be unfavorable. This is confirmed by experiment. Seebeck coefficient (S) and electrical conductivity (σ) measurements are performed at room temperature on pellets obtained by spark plasma sintering. An increase of power factors (S2·σ) from around 50 up to 500 μW K-2m-1 is observed for differently doped compounds. In several series of samples, we observed an optimum of power factor above 500 μW K-2m-1 at room temperature for a chlorine equivalence of 0.25 mol. % BiCl3. The obtained results are plotted on a semilogarithmic log (r) versus S graph to demonstrate that a very strong linear trend that limits the power factor around 500 μW K-2m-1 exists. Further improvement of Bi2S3 as thermoelectric material will require finding new doping modes that will break through the observed trend. The results of stability tests demonstrate that properties of optimally doped Bi2S3 are stable. [ABSTRACT FROM AUTHOR]

CeO2 thin films for gas sensors doped with Cu were elaborated by pulsed-laser deposition (PLD) technique from Cu–CeO2 targets. The films were deposited on oriented Si substrates for various deposition times. Scanning electron microscopy analyses evidenced correlations between crystalline texture of thin films, copper atom fractions and deposition times. A statistical study of grain sizes and texture allows evaluation of growth rates. From X-ray diffraction analyses, it was clearly established that texture effects are continuously modified as the Cu atom fraction increases: preferred (111) orientations of CeO2 crystals change into (200) orientations. Such morphological effects might be involved by the presence of a CuOz phase, formed during the condensation process and peculiarly associated with the laser deposition technique. A texture parameter R corresponding to the volume ratio of oriented phases is defined. A first modeling of this texture parameter as a function of Cu composition x and deposition time t is proposed. [Copyright &y& Elsevier]

In order to reduce the thermal conductivity of CoSbS, a newly developed thermoelectric semiconductor, we have aimed at intentionally induce atomic disorder in its structure. This endeavor was guided by Density Functional Theory(DFT) calculations which indicated that substituting sulfur with selenium might be easily achievable experimentally because of the low formation energy of this point defect. Thereby, CoSbS1−xSex compounds having 0 ≤ x ≤ 1 have been synthesized by solid state reaction. Besides the expected semiconducting paracostibite phase, we have observed the appearance of a semimetallic costibite phase, never reported experimentally before. This cross-fertilized theoretical and experimental approach allowed us to reduce by 50% the thermal conductivity of paracostibite and therefore reach a maximum zT of 0.62 at 730 K. This makes this entirely new CoSbS1−xSex alloy very attractive for further optimizations and potential usage in thermoelectric applications. [ABSTRACT FROM AUTHOR]

In order to reduce the thermal conductivity of CoSbS, a newly developed thermoelectric semiconductor, we have aimed at intentionally induce atomic disorder in its structure. This endeavor was guided by Density Functional Theory(DFT) calculations which indicated that substituting sulfur with selenium might be easily achievable experimentally because of the low formation energy of this point defect. Thereby, CoSbS 1-x Se x compounds having 0 ≤ x ≤ 1 have been synthesized by solid state reaction. Besides the expected semiconducting paracostibite phase, we have observed the appearance of a semimetallic costibite phase, never reported experimentally before. This cross-fertilized theoretical and experimental approach allowed us to reduce by 50% the thermal conductivity of paracostibite and therefore reach a maximum zT of 0.62 at 730 K. This makes this entirely new CoSbS 1-x Se x alloy very attractive for further optimizations and potential usage in thermoelectric applications.