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Half-Heusler and full-Heusler compounds were considered as independent phases with a natural composition gap. Here we report the discovery of TiRu1+xSb (x = 0.15 ~ 1.0) solid solution with wide homogeneity range and tunable p- to n-type semiconducting thermoelectrics, which bridges the composition gap between half- and full-Heusler phases. At the high-Ru end, strange glass-like thermal transport behavior with unusually low lattice thermal conductivity (~1.65 Wm−1K−1 at 340 K) is observed for TiRu1.8Sb, being the lowest among reported half-Heusler phases. In the composition range of 0.15, Half-and full-Heusler compounds are considered as independent phases with a natural composition gap. Here the authors report the discovery of half-Heusler-like TiRu1+xSb with wide continuous compositions falling in the gap region and tunable p-to n-type semiconducting thermoelectrics.

The thermoelectric efficiency accounting for the conversion of thermal energy into electricity is usually given by the figure of merit which involves three transport coefficients, with the thermopower, the electrical and the thermal conductivities. These coefficients can be defined at a semi-classical level as a function of Fermi integrals which only allow analytical approximations in either highly degenerate or strongly non-degenerate regimes. Otherwise, the intermediate regime which is of interest in order to describe high thermoelectric performance requires numerical calculations. It is shown that these Fermi integrals can actually be calculated and that the transport coefficients can be reformulated accordingly. This allows for a new definition of the figure of merit which covers all the regimes of interest without numerical calculations. This formulation of the Fermi integrals also provides a good starting point in order to perform a power expansion leading to a new approximation relevant for the intermediate regime. It turns out that the transport coefficients can then be expanded by revealing their high temperatures asymptotic behaviors. These results shed new light on the thermoelectric properties of the materials and point out that the analysis of their high temperatures behaviors allow to characterize experimentally the energy dependence in the transport integrals.

In recent years, research on transducers and system architectures for self-powered devices has gained attention for their direct impact on the Internet of Things in terms of cost, power consumption, and environmental impact. The concept of a wireless sensor node that uses a single thermoelectric generator as a power source and as a temperature gradient sensor in an efficient and controlled manner is investigated. The purpose of the device is to collect temperature gradient data in data centres to enable the application of thermal-aware server load management algorithms. By using a maximum power point tracking algorithm, the operating point of the thermoelectric generator is kept under control while using its power-temperature transfer function to measure the temperature gradient. In this way, a more accurate measurement of the temperature gradient is achieved while harvesting energy with maximum efficiency. The results show the operation of the system through its different phases as well as demonstrate its ability to efficiently harvest energy from a temperature gradient while measuring it. With this system architecture, temperature gradients can be measured with a maximum error of 0.14 $$^{\circ }$$ ∘ C and an efficiency of over 92% for values above 13 $$^{\circ }$$ ∘ C and a single transducer.

Since the proposal of the “Materials Genome Initiative”, several material databases have emerged and advanced many materials fields. In this work, we present the Materials Informatics Platform with Three-Dimensional Structures (MIP-3d). More than 80,000 structural entries, mainly from the inorganic crystal structural database, are included in MIP-3d. Density functional theory calculations are carried out for over 30,000 entries in the database, which contain the relaxed crystal structures, density of states, and band structures. The calculation of the equations of state and sound velocities is performed for over 12,000 entries. Notably, for entries with band gap values larger than 0.3 eV, the band degeneracies for the valence band maxima and the conduction band minima are analysed. The electrical transport properties for approximately 4,400 entries are also calculated and presented in MIP-3d under the constant electron-phonon coupling approximation. The calculations of the band degeneracies and electrical transport properties make MIP-3d a database specifically designed for thermoelectric applications., Measurement(s)structural entity • relaxed crystal structure • density of states • band structure • electrical transport property • equation of statesTechnology Type(s)density functional theory • computational modeling techniqueFactor Type(s)material Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.15164577

Thermoelectrics are suited to converting dissipated heat into electricity for operating electronics, but the small voltage (~0.1 mV K−1) from the Seebeck effect has been one of the major hurdles in practical implementation. Here an approach with thermo-hydro-electrochemical effects can generate a large thermal-to-electrical energy conversion factor (TtoE factor), −87 mV K−1 with low-cost carbon steel electrodes and a solid-state polyelectrolyte made of polyaniline and polystyrene sulfonate (PANI:PSS). We discovered that the thermo-diffusion of water in PANI:PSS under a temperature gradient induced less (or more) water on the hotter (or colder) side, raising (or lowering) the corrosion overpotential in the hotter (or colder) side and thereby generating output power between the electrodes. Our findings are expected to facilitate subsequent research for further increasing the TtoE factor and utilizing dissipated thermal energy., Thermoelectrics are suited to converting dissipated heat into electricity for operating electronics but limited by the small voltage from the Seebeck effect. Here, the authors report a thermo-hydro-electrochemical hybrid device with −87 mV K−1.

Band convergence is considered a clear benefit to thermoelectric performance because it increases the charge carrier concentration for a given Fermi level, which typically enhances charge conductivity while preserving the Seebeck coefficient. However, this advantage hinges on the assumption that interband scattering of carriers is weak or insignificant. With first-principles treatment of electron-phonon scattering in the CaMg2Sb2-CaZn2Sb2 Zintl system and full Heusler Sr2SbAu, we demonstrate that the benefit of band convergence can be intrinsically negated by interband scattering depending on the manner in which bands converge. In the Zintl alloy, band convergence does not improve weighted mobility or the density-of-states effective mass. We trace the underlying reason to the fact that the bands converge at a one k-point, which induces strong interband scattering of both the deformation-potential and the polar-optical kinds. The case contrasts with band convergence at distant k-points (as in the full Heusler), which better preserves the single-band scattering behavior thereby successfully leading to improved performance. Therefore, we suggest that band convergence as thermoelectric design principle is best suited to cases in which it occurs at distant k-points., Band convergence is a strategy to enhance a material’s thermoelectric performance, as it increases the charge carrier concentration for a given Fermi level. Here, the authors find that the benefit of band convergence can be negated by interband scattering depending on the manner in which bands converge.

Nanowires, atomic point contacts, and chains of atoms are one-dimensional nanostructures, which display size-dependent quantum effects in electrical and thermal conductivity. In this work a Cu nanofilament of a defined resistance and formed between a Cu and Pt electrode is heated remotely in a controlled way. Depending on the robustness of the conductive filament and the amount of heat transferred several resistance-changing effects are observed. In case of sufficiently fragile nanofilament exhibiting electrical quantum conductance effects and moderate heating applied to it, a dramatic increase of resistance is observed just after the completion of the heating cycle. However, when the filament is allowed to cool off, a spontaneous restoration of the originally set resistance of the filament is observed within less than couple tens of seconds. When the filament is sufficiently fragile or the heating too excessive, the filament is permanently ruptured, resulting in a high resistance of the cell. In contrast, for robust, low resistance filaments, the remote heating does not affect the resistance. The spontaneous restoration of the initial resistance value is explained by electron tunneling between neighboring vibrating Cu atoms. As the vibrations of the Cu atoms subside during the cooling off period, the electron tunneling between the Cu atoms becomes more likely. At elevated temperatures, the average tunneling distance increases, leading to a sharp decrease of the tunneling probability and, consequently, to a sharp increase in transient resistance.

Discovered more than 200 years ago in 1821, thermoelectricity is nowadays of global interest as it enables direct interconversion of thermal and electrical energy via the Seebeck/Peltier effect. In their seminal work, Mahan and Sofo mathematically derived the conditions for ’the best thermoelectric’—a delta-distribution-shaped electronic transport function, where charge carriers contribute to transport only in an infinitely narrow energy interval. So far, however, only approximations to this concept were expected to exist in nature. Here, we propose the Anderson transition in a narrow impurity band as a physical realisation of this seemingly unrealisable scenario. An innovative approach of continuous disorder tuning allows us to drive the Anderson transition within a single sample: variable amounts of antisite defects are introduced in a controlled fashion by thermal quenching from high temperatures. Consequently, we obtain a significant enhancement and dramatic change of the thermoelectric properties from p-type to n-type in stoichiometric Fe2VAl, which we assign to a narrow region of delocalised electrons in the energy spectrum near the Fermi energy. Based on our electronic transport and magnetisation experiments, supported by Monte-Carlo and density functional theory calculations, we present a novel strategy to enhance the performance of thermoelectric materials.

Thermoelectric technology converts heat into electricity directly and is a promising source of clean electricity. Commercial thermoelectric modules have relied on Bi2Te3-based compounds because of their unparalleled thermoelectric properties at temperatures associated with low-grade heat (, Though earth abundant magnesium-based materials are attractive for thermoelectrics (TEs) due to their device-level performance, realizing efficient modules remains a challenge. Here, the authors report a scalable route to realizing Mg-based compounds for high performance TE modules.

The ‘phonon-glass electron-crystal’ concept has triggered most of the progress that has been achieved in inorganic thermoelectrics in the past two decades. Organic thermoelectric materials, unlike their inorganic counterparts, exhibit molecular diversity, flexible mechanical properties and easy fabrication, and are mostly ‘phonon glasses’. However, the thermoelectric performances of these organic materials are largely limited by low molecular order and they are therefore far from being ‘electron crystals’. Here, we report a molecularly n-doped fullerene derivative with meticulous design of the side chain that approaches an organic ‘PGEC’ thermoelectric material. This thermoelectric material exhibits an excellent electrical conductivity of >10 S cm−1 and an ultralow thermal conductivity of, Achieved high thermoelectric figure of merit (ZT) in organic thermoelectric materials remains a challenge due to their low packing order and poor host/dopant miscibility. Here, the authors report side chain-engineered n-doped fullerene derivatives with record ZT >0.3 for organic thermoelectrics.

Microelectronic thermoelectric generators are one potential solution to energizing energy autonomous electronics, such as internet-of-things sensors, that must carry their own power source. However, thermoelectric generators with the mm2 footprint area necessary for on-chip integration made from high thermoelectric figure-of-merit materials have been unable to produce the voltage and power levels required to run Si electronics using common temperature differences. We present microelectronic thermoelectric generators using Si0.97Ge0.03, made by standard Si processing, with high voltage and power generation densities that are comparable to or better than generators using high figure-of-merit materials. These Si-based thermoelectric generators have, Thermoelectric generators with a small size are unable to produce enough high voltage and power levels to run Si integrated circuits using commonly encountered temperature differences. Here, the authors present microelectronic thermoelectric generators using Si0.97Ge0.03 to solve the problem.

Radiative coolers that can passively cool objects by radiating heat into the outer space have recently received much attention. However, the ultimate limits of their performance as well as their ideal spectral design are still unknown. We present the fundamental lower bound of the temperature of a radiatively cooled object on earth surfaces under general conditions, including non-radiative heat transfer, and the upper bound of the net radiative power density of a radiative cooler as a function of temperature. We derive the ideal spectral emissivities that can realize such bounds and, contrary to common belief, find that the ideal emission window is different from 8 to 13 um and forms disjointed sets of wavelengths, whose width diminishes at lower temperatures. We show that ideal radiative coolers with perfect thermal insulation against conduction and convection have a steady-state temperature of 243.6 K in summer and 180.5 K in winter, much below previously measured values. We also provide the ideal emission window for a single-band emitter and show that this window should be much narrower than that of previous designs if the objective is to build a radiative freezer that can operate in summer. We provide a general guideline for designing spectral emissivity to achieve the maximum temperature drop or the maximum net radiative power density.

Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can potentially be other important effects. Here, we show that chemical doping plays multiple roles for both electron and phonon transport properties in half-Heusler thermoelectric materials. With ZrNiSn-based half-Heusler materials as an example, we use high-quality single and polycrystalline crystals, various probes, including electrical transport measurements, inelastic neutron scattering measurement, and first-principles calculations, to investigate the underlying electron-phonon interaction. We find that chemical doping brings strong screening effects to ionized impurities, grain boundary, and polar optical phonon scattering, but has negligible influence on lattice thermal conductivity. Furthermore, it is possible to establish a carrier scattering phase diagram, which can be used to select reasonable strategies for optimization of the thermoelectric performance., Comment: 21 pages, 5 figures

Energy transferred via thermal radiation between two surfaces separated by nanometer distances can be much larger than the blackbody limit. However, realizing a scalable platform that utilizes this near-field energy exchange mechanism to generate electricity remains a challenge. Here, we present a fully integrated, reconfigurable and scalable platform operating in the near-field regime that performs controlled heat extraction and energy recycling. Our platform relies on an integrated nano-electromechanical system that enables precise positioning of a thermal emitter within nanometer distances from a room-temperature germanium photodetector to form a thermo-photovoltaic cell. We demonstrate over an order of magnitude enhancement of power generation (Pgen ~ 1.25 μWcm−2) in our thermo-photovoltaic cell by actively tuning the gap between a hot-emitter (TE ~ 880 K) and the cold photodetector (TD ~ 300 K) from ~ 500 nm down to ~ 100 nm. Our nano-electromechanical system consumes negligible tuning power (Pgen/PNEMS ~ 104) and relies on scalable silicon-based process technologies., Designing a scalable platform to generate electricity from the energy exchange mechanism between two surfaces separated by nanometer distances remains a challenge. Here, the authors demonstrate reconfigurable, scalable and fully integrated near-field thermo-photovoltaics for on-demand heat recycling.

The conceptual understanding of charge transport in conducting polymers is still ambiguous due to a wide range of paracrystallinity (disorder). Here, we advance this understanding by presenting the relationship between transport, electronic density of states and scattering parameter in conducting polymers. We show that the tail of the density of states possesses a Gaussian form confirmed by two-dimensional tight-binding model supported by Density Functional Theory and Molecular Dynamics simulations. Furthermore, by using the Boltzmann Transport Equation, we find that transport can be understood by the scattering parameter and the effective density of states. Our model aligns well with the experimental transport properties of a variety of conducting polymers; the scattering parameter affects electrical conductivity, carrier mobility, and Seebeck coefficient, while the effective density of states only affects the electrical conductivity. We hope our results advance the fundamental understanding of charge transport in conducting polymers to further enhance their performance in electronic applications., Obtaining a complete picture for charge transport in conducting polymers is vital to designing new organic electronic materials. Here, the authors show that a gaussian density of states clarifies the transport physics in conducting polymers by revealing the role of carrier scattering on transport.

Low-grade heat accounts for >50% of the total dissipated heat sources in industries. An efficient recovery of low-grade heat into useful electricity not only reduces the consumption of fossil-fuels but also releases the subsequential environmental-crisis. Thermoelectricity offers an ideal solution, yet low-temperature efficient materials have continuously been limited to Bi2Te3-alloys since the discovery in 1950s. Scarcity of tellurium and the strong property anisotropy cause high-cost in both raw-materials and synthesis/processing. Here we demonstrate cheap polycrystalline antimonides for even more efficient thermoelectric waste-heat recovery within 600 K than conventional tellurides. This is enabled by a design of Ni/Fe/Mg3SbBi and Ni/Sb/CdSb contacts for both a prevention of chemical diffusion and a low interfacial resistivity, realizing a record and stable module efficiency at a temperature difference of 270 K. In addition, the raw-material cost to the output power ratio in this work is reduced to be only 1/15 of that of conventional Bi2Te3-modules., Thermoelectric materials for low-grade heat recovery applications are limited to Bi2Te3-based alloys containing expensive Te for decades. Here, the authors demonstrate on a module level, cheap antimonides could enable an efficiency not inferior to that of expensive tellurides.

Nanocomposite engineering decouples the transport of phonons and electrons. This usually involves the in-situ formation or ex-situ addition of nanoparticles to a material matrix with hetero-composition and hetero-structure (heC-heS) interfaces or hetero-composition and homo-structure (heC-hoS) interfaces. Herein, a quasi homo-composition and hetero-structure (hoC-heS) nanocomposite consisting of Pnma Bi2SeS2 - Pnnm Bi2SeS2 is obtained through a Br dopant-induced phase transition, providing a coherent interface between the Pnma matrix and Pnnm second phase due to the slight structural difference between the two phases. This hoC-heS nanocomposite demonstrates a significant reduction in lattice thermal conductivity (~0.40 W m−1 K−1) and an enhanced power factor (7.39 μW cm−1 K−2). Consequently, a record high figure-of-merit ZTmax = 1.12 (at 773 K) and a high average figure-of-merit ZTave = 0.72 (in the range of 323–773 K) are achieved. This work provides a general strategy for synergistically tuning electrical and thermal transport properties by designing hoC-heS nanocomposites through a dopant-induced phase transition., Most of the thermoelectric nanocomposites have structure character of a hetero-composition and hetero-structure, or hetero-composition and homo-structure between matrix phase and dispersion phase. This work shows a quasi homo-composition and hetero-structure (hoC-heS) nanocomposite consisting of Pnma Bi2SeS2 - Pnnm Bi2SeS2 with high ZT.

Ever since global warming emerged as a serious issue, the development of promising thermoelectric materials has been one of the main hot topics of material science. In this work, we provide an in-depth understanding of the thermoelectric properties of X\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2YH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 monolayers (X=Si, Ge; Y=P, As, Sb, Bi) using the density functional theory combined with the Boltzmann transport equation. 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Ge\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2PH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 and Si\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2SbH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 possess the highest mobilities for hole (1894 cm\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^2$$\end{document}2V\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^{-1}$$\end{document}-1s\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^{-1}$$\end{document}-1) and electron (1629 cm\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^2$$\end{document}2V\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^{-1}$$\end{document}-1s\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^{-1}$$\end{document}-1), respectively. Si\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2BiH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 shows the largest room-temperature figure of merit, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ZT=2.85$$\end{document}ZT=2.85 in the n-type doping ( \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\sim 3\times 10^{12}$$\end{document}∼3×1012 cm\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$^{-2}$$\end{document}-2), which is predicted to reach 3.49 at 800 K. Additionally, Si\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2SbH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 and Si\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2AsH\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2 are found to have considerable ZT values above 2 at room temperature. Our findings suggest that the mentioned monolayers are more efficient than the traditional thermoelectric materials such as Bi\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_2$$\end{document}2Te\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_3$$\end{document}3 and stimulate experimental efforts for novel syntheses and applications.

The suitability of Ba2MgWO6 (BMW) double perovskite doped with Eu3+ for the construction of an optical thermometer was tested. It has been shown that by controlling the conditions of BMW synthesis, the sensitivity of the optical thermometer and the useful range of its work can be changed. Pure BMW and doped with Eu3+ samples were prepared using the mechano-chemical and co-precipitation methods. Both the absolute sensitivity and the relative sensitivity in relation to the synthesis route were estimated. The findings proved that the relative sensitivity can be modulated from 1.17%K−1 at 248 K, to 1.5%K−1 at 120 K for the co-precipitation and the mechanochemical samples, respectively. These spectacular results confirm the applicability of the Ba2MgWO6: Eu3+ for the novel luminescent sensors in high-precision temperature detection devices. The density-functional theory was applied to elucidate the origin of the host emission.

In line for semiconducting electronic properties, we systematically scrutinize the likely to be grown half-Heusler compounds XTaZ (X = Pd, Pt and Z = Al, Ga, In) for their stability and thermoelectric properties. The energetically favored F-43m configuration of XTaZ alloys at equilibrium lattice constant is a promising non-magnetic semiconductor reflected from its total valence electron count (NV = 18) and electronic structure calculations. Alongside mechanical stability, the dynamic stability is guaranteed from lattice vibrations and the phonon studies. The energy gaps of these stable Ta-based materials with Z = Ga are estimated to reach as high as 0.46 eV when X = Pd and 0.95 eV when X = Pt; however, this feature is reduced when Z = Al/In and X = Pd/Pt, respectively. Lattice thermal conductivity calculations are achieved to predict the smallest room temperature value of KL = 33.6 W/K (PdTaGa) and 38.0 W/mK (for PtAlGa) among the proposed group of Heusler structures. In the end, we investigated the plausible thermoelectric performance of XTaZ alloys, which announces a comparable difference for the n-type and p-type doping regions. Among the six alloys, PtTaAl, PtTaGa and PtTaIn are predicted to be the most efficient materials where the power factor (PF) elevates up to ~ 90.5, 106.7, 106.5 mW/(K2m), respectively at 900 K; however the lower values are recorded for PdTaAl (~ 66.5), PdTaGa (~ 76.5) and PdTaIn (~ 73.4) alloys. While this reading unlocks avenues for additional assessment of this new class of Half Heuslers, the project approach used here is largely appropriate for possible collection of understandings to realize novel stable materials with potential high temperature applications.

We investigate the effect of non-analytical corrections on the phonon thermal transport properties in two-dimensional indium chalcogenide compounds. The longitudinal optical (LO) and transverse optical (TO) branches in the phonon dispersion are split near the Γ-point. The lattice thermal conductivity of monolayer InS is increased by 30.2% under non-analytical corrections because of the large LO-TO splitting at Γ-point. The predicted lattice thermal conductivities with non-analytical corrections at room temperature are 57.1 W/mK, 44.4 W/mK and 33.1 W/mK for the monolayer InS, InSe and InTe, respectively. The lattice thermal conductivity can be effectively reduced by nanostructures because the representative mean free paths are found very large in these monolayers. By quantifying the relative contribution of the phonon modes to the lattice thermal conductivity, we predict that the longitudinal acoustic branch is the main contributor to the lattice thermal conductivity. Due to the low lattice thermalconductivities of these monolayers, they can be useful in the nanoscale thermoelectric devices.

2,5-Dimethylfuran (DMF) is a type of attractive sustainable green energy for diesel engines that is designed to reduce soot emission. This study investigated the effect of fuel properties on the macroscopic and microscopic spray characteristics of four test blends under injection pressures of 90, 120 and 150 MPa and ambient pressure of 5 MPa in a common diesel rail injection system. The macroscopic results indicate that with higher density, lower viscosity and lower latent heating of DMF20, the spray tip penetration and spray area are increased and the average spray angle is slightly increased. Interestingly, the effect of latent heating on the average spray angle is more obvious than that of kinematic viscosity. The microscopic results suggest that higher density, lower viscosity and lower latent heating of DMF20 have an adverse effect on the breakup of small droplets. The results of comparative analysis show that the change rules of the spray parameters remain nearly unchanged with increased injection pressure, and the influence of DMF20 properties produces a different change in different spray parameters with increasing injection pressure. The meaningful conclusion is that the properties of DMF are favourable to improvement of the spray and atomization parameters under high injection pressure.

Assembling thermoelectric modules into fabric to harvest energy from body heat could one day power multitudinous wearable electronics. However, the invalid 2D architecture of fabric limits the application in thermoelectrics. Here, we make the valid thermoelectric fabric woven out of thermoelectric fibers producing an unobtrusive working thermoelectric module. Alternately doped carbon nanotube fibers wrapped with acrylic fibers are woven into π-type thermoelectric modules. Utilizing elasticity originating from interlocked thermoelectric modules, stretchable 3D thermoelectric generators without substrate can be made to enable sufficient alignment with the heat flow direction. The textile generator shows a peak power density of 70 mWm−2 for a temperature difference of 44 K and excellent stretchability (~80% strain) with no output degradation. The compatibility between body movement and sustained power supply is further displayed. The generators described here are true textiles, proving active thermoelectrics can be woven into various fabric architectures for sensing, energy harvesting, or thermal management., Despite recent advances in flexible thermoelectric generators for wearable devices, current designs are unable to efficiently harvest heat flowing from human body. Here, the authors report high thermoelectric performance and stretchability in interlocked fiber-based modules for wearable devices.

The SrTiO3 thin films were fabricated by pulsed laser deposition. Subsequently ion implantation with 60 keV N ions at two different fluences 1 × 1016 and 5 × 1016 ions/cm2 and followed by annealing was carried out. Thin films were then characterized for electronic structure, morphology and transport properties. X-ray absorption spectroscopy reveals the local distortion of TiO6 octahedra and introduction of oxygen vacancies due to N implantation. The electrical and thermoelectric properties of these films were measured as a function of temperature to understand the conduction and scattering mechanisms. It is observed that the electrical conductivity and Seebeck coefficient (S) of these films are significantly enhanced for higher N ion fluence. The temperature dependent electrical resistivity has been analysed in the temperature range of 80–400 K, using various conduction mechanisms and fitted with band conduction, near neighbour hopping (NNH) and variable range hopping (VRH) models. It is revealed that the band conduction mechanism dominates at high temperature regime and in low temperature regime, there is a crossover between NNH and VRH. The S has been analysed using the relaxation time approximation model and dispersive transport mechanism in the temperature range of 300–400 K. Due to improvement in electrical conductivity and thermopower, the power factor is enhanced to 15 µWm−1 K−2 at 400 K at the higher ion fluence which is in the order of ten times higher as compared to the pristine films. This study suggests that ion beam can be used as an effective technique to selectively alter the electrical transport properties of oxide thermoelectric materials.

Efficient low-grade heat recovery can help to reduce greenhouse gas emission as over 70% of primary energy input is wasted as heat, but current technologies to fulfill the heat-to-electricity conversion are still far from optimum. Here we report a direct thermal charging cell, using asymmetric electrodes of a graphene oxide/platinum nanoparticles cathode and a polyaniline anode in Fe2+/Fe3+ redox electrolyte via isothermal heating operation. When heated, the cell generates voltage via a temperature-induced pseudocapacitive effect of graphene oxide and a thermogalvanic effect of Fe2+/Fe3+, and then discharges continuously by oxidizing polyaniline and reducing Fe3+ under isothermal heating till Fe3+ depletion. The cell can be self-regenerated when cooled down. Direct thermal charging cells attain a temperature coefficient of 5.0 mV K−1 and heat-to-electricity conversion efficiency of 2.8% at 70 °C (21.4% of Carnot efficiency) and 3.52% at 90 °C (19.7% of Carnot efficiency), outperforming other thermoelectrochemical and thermoelectric systems., Recovery of low-grade heat can aid in reducing greenhouse gas emissions, but heat-to-electricity conversion technologies should be optimized. Here the authors report a direct thermal charging cell that uses asymmetric electrodes and a redox electrolyte to efficiently convert low-grade heat into electricity.

Nano-antennas are replicas of antennas that operate at radio-frequencies, but with considerably smaller dimensions when compared with their radio frequency counterparts. Noble metals based nano-antennas have the ability to enhance photoinduced phenomena such as localized electric fields, therefore-they have been used in various applications ranging from optical sensing and imaging to performance improvement of solar cells. However, such nano-structures can be damaged in high power applications such as heat resisted magnetic recording, solar thermo-photovoltaics and nano-scale heat transfer systems. Having a small footprint, nano-antennas cannot handle high fluences (energy density per unit area) and are subject to being damaged at adequately high power (some antennas can handle just a few milliwatts). In addition, given that nano-antennas are passive devices driven by external light sources, the potential damage of the antennas limits their use with high power lasers: this liability can be overcome by employing materials with high melting points such as chromium (Cr) and tungsten (W). In this article, we fabricate chromium and tungsten nano-antennas and demonstrate that they can handle 110 and 300 times higher fluence than that of gold (Au) counterpart, while the electric field enhancement is not significantly reduced.

In this paper, we systematically investigate the effect of hydrostatic pressure on the phononic and electronic transport properties of orthorhombic p-type GeSe using first-principles based Boltzmann transport equation approach. It is found that the lattice thermal conductivities along the a and c directions increase with pressure, whereas it experiences a decrease along the b direction. This anomalous pressure dependent lattice thermal conductivity is attributed to the combined effect of enhanced phonon group velocity and reduced phonon lifetime. Additionally, the optical phonon branches have remarkable contributions to the total lattice thermal conductivity. The electronic transport calculations indicate that the Seebeck coefficient undergoes a sign change from p-type to n-type along the a direction under pressure, and a dramatic enhancement of the power factor is observed due to the boost of electrical conductivity. The predicted ZT values along the a, b, and c directions are 1.54, 1.09, and 1.01 at 700 K and 8 GPa, respectively, which are about 14, 7.3, and 1.9 times higher than those at zero pressure at experimental carrier concentration of ~1018 cm−3. Our study is expected to provide a guide for further optimization of the thermal and charge transport properties through hydrostatic pressure.

Thermoelectric (TE) composites, with photocured resin as the matrix and Ag2Se (AS) as the filler, are synthesized by a digital-light-processing (DLP) based 3D printer. The mixture of diurethane dimethacrylate (DUDMA) and isobornyl acrylate (IBOA) is used as a UV-curable resin because of their low viscosity and high miscibility. Scanning electron microscopy (FE-SEM) images confirm that the filler retains its shape and remains after the UV-curing process. After completing curing, the mechanical and thermoelectric properties of the composite with different AS contents were measured. The addition of the AS filler increases the thermoelectric properties of the cured resin. When the AS contents increase by 30 wt.%, the maximum power factor was obtained (~ 51.5 μW/m·K2 at room temperature). Additionally, due to the phonon scattering effect between the interfaces, the thermal conductivity of composite is lower than that of pristine photoresin. The maximum thermoelectric figure of merit (ZT) is ~ 0.12, which is achieved with 30 wt.% of AS at 300 K with the enhanced power factor and reduced thermal conductivity. This study presents a novel manufacturing method for a thermoelectric composite using 3D printing.

An essential attribute of many fractal structures is self-similarity. A Sierpinski gasket (SPG) triangle is a promising example of a fractal lattice that exhibits localized energy eigenstates. In the present work, for the first time we establish that a mixture of both extended and localized energy eigenstates can be generated yeilding mobility edges at multiple energies in presence of a time-periodic driving field. We obtain several compelling features by studying the transmission and energy eigenvalue spectra. As a possible application of our new findings, different thermoelectric properties are discussed, such as electrical conductance, thermopower, thermal conductance due to electrons and phonons. We show that our proposed method indeed exhibits highly favorable thermoelectric performance. The time-periodic driving field is assumed through an arbitrarily polarized light, and its effect is incorporated via Floquet-Bloch ansatz. All transport phenomena are worked out using Green’s function formalism following the Landauer–Büttiker prescription.

Low-grade waste heat is an abundant and underutilised energy source. In this context, thermo-electrochemical cells (i.e., systems able to harvest heat to generate electricity) are being intensively studied to deliver the promises of efficient and cost-effective energy harvesting and electricity generation. However, despite the advances in performance disclosed in recent years, understanding the internal processes occurring within these devices is challenging. In order to shed light on these mechanisms, here we report an operando magnetic resonance imaging approach that can provide quantitative spatial maps of the electrolyte temperature and redox ion concentrations in functioning thermo-electrochemical cells. Time-resolved images are obtained from liquid and gel electrolytes, allowing the observation of the effects of redox reactions and competing mass transfer processes such as thermophoresis and diffusion. We also correlate the physicochemical properties of the system with the device performance via simultaneous electrochemical measurements., Devices able to harvest heat to generate electricity are intensively studied for sustainable energy production. Here, the authors investigate the mechanism of thermo-electrochemical cells via operando magnetic resonance imaging.

Thermoelectrics operating at high temperature can cost-effectively convert waste heat and compete with other zero-carbon technologies. Among different high-temperature thermoelectrics materials, silicon nanowires possess the combined attributes of cost effectiveness and mature manufacturing infrastructures. Despite significant breakthroughs in silicon nanowires based thermoelectrics for waste heat conversion, the figure of merit (ZT) or operating temperature has remained low. Here, we report the synthesis of large-area, wafer-scale arrays of porous silicon nanowires with ultra-thin Si crystallite size of ~4 nm. Concurrent measurements of thermal conductivity (κ), electrical conductivity (σ), and Seebeck coefficient (S) on the same nanowire show a ZT of 0.71 at 700 K, which is more than ~18 times higher than bulk Si. This ZT value is more than two times higher than any nanostructured Si-based thermoelectrics reported in the literature at 700 K. Experimental data and theoretical modeling demonstrate that this work has the potential to achieve a ZT of ~1 at 1000 K., Performance of Si nanowires as thermoelectrics are evaluated only from cryogenic to ambient temperatures and ZT has remained low. Here, the authors systematically optimized the synthesis method and improved the suspended microdevice platform to achieve high-performance thermoelectrics up to 700 K.

We demonstrate that the thermoelectric properties of p-type chalcogenides can be effectively improved by band convergence and hierarchical structure based on a high-entropy-stabilized matrix. The band convergence is due to the decreased light and heavy band energy offsets by alloying Cd for an enhanced Seebeck coefficient and electric transport property. Moreover, the hierarchical structure manipulated by entropy engineering introduces all-scale scattering sources for heat-carrying phonons resulting in a very low lattice thermal conductivity. Consequently, a peak zT of 2.0 at 900 K for p-type chalcogenides and a high experimental conversion efficiency of 12% at ΔT = 506 K for the fabricated segmented modules are achieved. This work provides an entropy strategy to form all-scale hierarchical structures employing high-entropy-stabilized matrix. This work will promote real applications of low-cost thermoelectric materials., The synergism of entropy engineering and the typical optimization mechanisms in high-entropy-stabilized chalcogenide is unknown. Here, the authors find high-entropy-stabilized composition works as a promising matrix of applying synergistic effect to realize high thermoelectric performance.

The method to optimize nanostructures of silicon thin films as thermoelectric materials is developed. The simulated annealing method is utilized for predicting the optimized structure. The mean free path and thermal conductivity of thin films, which are the objective function of optimization, is evaluated by using phonon transport simulations and lattice dynamics calculations. In small systems composed of square lattices, the simulated annealing method successfully predicts optimized structure corroborated by an exhaustive search. This fact indicates that the simulated annealing method is an effective tool for optimizing nanostructured thin films as thermoelectric materials.

Surface plasmons have found a wide range of applications in plasmonic and nanophotonic devices. The combination of plasmonics with three-dimensional photonic crystals has enormous potential for the efficient localization of light in high surface area photoelectrodes. However, the metals traditionally used for plasmonics are difficult to form into three-dimensional periodic structures and have limited optical penetration depth at operational frequencies, which limits their use in nanofabricated photonic crystal devices. The recent decade has seen an expansion of the plasmonic material portfolio into conducting ceramics, driven by their potential for improved stability, and their conformal growth via atomic layer deposition has been established. In this work, we have created three-dimensional photonic crystals with an ultrathin plasmonic titanium nitride coating that preserves photonic activity. Plasmonic titanium nitride enhances optical fields within the photonic electrode while maintaining sufficient light penetration. Additionally, we show that post-growth annealing can tune the plasmonic resonance of titanium nitride to overlap with the photonic resonance, potentially enabling coupled-phenomena applications for these three-dimensional nanophotonic systems. Through characterization of the tuning knobs of bead size, deposition temperature and cycle count, and annealing conditions, we can create an electrically- and plasmonically-active photonic crystal as-desired for a particular application of choice.

Toward high-performance thermoelectric energy conversion, the electrons and holes must work jointly like two wheels of a cart: if not longitudinally, then transversely. The bipolar effect — the main performance restriction in the traditional longitudinal thermoelectricity, can be manipulated to be a performance enhancer in the transverse thermoelectricity. Here, we demonstrate this idea in semimetal Mg2Pb. At 30 K, a giant transverse thermoelectric power factor as high as 400 μWcm−1K−2 is achieved, a 3 orders-of-magnitude enhancement than the longitudinal configuration. The resultant specific heat pumping power is ~ 1 Wg−1, higher than those of existing techniques at 10~100 K. A large number of semimetals and narrow-gap semiconductors making poor longitudinal thermoelectrics due to severe bipolar effect are thus revived to fill the conspicuous gap of thermoelectric materials for solid-state applications., Heat pumping is in high demand at cryogenic temperature, but whether thermoelectricity can take on cryogenic heat pumping is an open question. Here, the authors answer this question by leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg2Pb for cryogenic heat pumping.

Low-dimensional materials have recently attracted much interest as thermoelectric materials because of their charge carrier confinement leading to thermoelectric performance enhancement. Carbon nanotubes are promising candidates because of their one-dimensionality in addition to their unique advantages such as flexibility and light weight. However, preserving the large power factor of individual carbon nanotubes in macroscopic assemblies has been challenging, primarily due to poor sample morphology and a lack of proper Fermi energy tuning. Here, we report an ultrahigh value of power factor (14 ± 5 mW m−1 K−2) for macroscopic weavable fibers of aligned carbon nanotubes with ultrahigh electrical and thermal conductivity. The observed giant power factor originates from the ultrahigh electrical conductivity achieved through excellent sample morphology, combined with an enhanced Seebeck coefficient through Fermi energy tuning. We fabricate a textile thermoelectric generator based on these carbon nanotube fibers, which demonstrates high thermoelectric performance, weavability, and scalability. The giant power factor we observe make these fibers strong candidates for the emerging field of thermoelectric active cooling, which requires a large thermoelectric power factor and a large thermal conductivity at the same time., Preserving the large power factor of carbon nanotubes is challenging, due to poor sample morphology and a lack of proper Fermi energy tuning. Here, the authors achieve a value of power factor of 14 ± 5 mW m−1 K−2 originating from the preserved conductivity and the ability to tune Fermi energy.

Thermoelectric power generation offers a promising way to recover waste heat. The geometrical design of thermoelectric legs in modules is important to ensure sustainable power generation but cannot be easily achieved by traditional fabrication processes. Herein, we propose the design of cellular thermoelectric architectures for efficient and durable power generation, realized by the extrusion-based 3D printing process of Cu2Se thermoelectric materials. We design the optimum aspect ratio of a cuboid thermoelectric leg to maximize the power output and extend this design to the mechanically stiff cellular architectures of hollow hexagonal column- and honeycomb-based thermoelectric legs. Moreover, we develop organic binder-free Cu2Se-based 3D-printing inks with desirable viscoelasticity, tailored with an additive of inorganic Se82− polyanion, fabricating the designed topologies. The computational simulation and experimental measurement demonstrate the superior power output and mechanical stiffness of the proposed cellular thermoelectric architectures to other designs, unveiling the importance of topological designs of thermoelectric legs toward higher power and longer durability., The geometrical design of thermoelectric legs in modules is key for sustainable power generation but can be hardly achieved by traditional fabrication process. Here, the authors develop an extrusion-based 3D printing process of Cu2Se thermoelectric materials for efficient power generation.

Mobile ion-enabled phenomena make β-Zn4Sb3 a promising material in terms of the re-entry phase instability behavior, mixed electronic ionic conduction, and thermoelectric performance. Here, we utilize the fast Zn2+ migration under a sawtooth waveform electric field and a dynamical growth of 3-dimensional ionic conduction network to achieve ultra-fast synthesis of β-Zn4Sb3. Moreover, the interplay between the mobile ions, electric field, and temperature field gives rise to exquisite core-shell crystalline-amorphous microstructures that self-adaptively stabilize β-Zn4Sb3. Doping Cd or Ge on the Zn site as steric hindrance further stabilizes β-Zn4Sb3 by restricting long-range Zn2+ migration and extends the operation temperature range of high thermoelectric performance. These results provide insight into the development of mixed-conduction thermoelectric materials, batteries, and other functional materials., β-Zn4Sb3 has promising thermoelectric performance, but its ionic migration properties make it prone to degradation. Here the authors exploit the ion migration in an electric field-assisted synthesis method, fast producing β-Zn4Sb3 with improved phase stability and extended temperature range for the thermoelectric operation.

Softening of thermoelectric generators facilitates conformal contact with arbitrary-shaped heat sources, which offers an opportunity to realize self-powered wearable applications. However, existing wearable thermoelectric devices inevitably exhibit reduced thermoelectric conversion efficiency due to the parasitic heat loss in high-thermal-impedance polymer substrates and poor thermal contact arising from rigid interconnects. Here, we propose compliant thermoelectric generators with intrinsically stretchable interconnects and soft heat conductors that achieve high thermoelectric performance and unprecedented conformability simultaneously. The silver-nanowire-based soft electrodes interconnect bismuth-telluride-based thermoelectric legs, effectively absorbing strain energy, which allows our thermoelectric generators to conform perfectly to curved surfaces. Metal particles magnetically self-assembled in elastomeric substrates form soft heat conductors that significantly enhance the heat transfer to the thermoelectric legs, thereby maximizing energy conversion efficiency on three-dimensional heat sources. Moreover, automated additive manufacturing paves the way for realizing self-powered wearable applications comprising hundreds of thermoelectric legs with high customizability under ambient conditions.

Given the growing demand for environmentally friendly energy sources, thermoelectric energy conversion has attracted increased interest as a promising CO2-free technology. SnSe single crystals have attracted attention as a next generation thermoelectric material due to outstanding thermoelectric properties arising from ultralow thermal conductivity. For practical applications, on the other hand, polycrystalline SnSe should be also focused because the production cost and the flexibility for applications are important factors, which requires the systematic investigation of the stability of thermoelectric performance under a pseudo operating environment. Here, we report that the physical properties of SnSe crystals with nano to submicron scale are drastically modified by atmospheric annealing. We measured the Seebeck effect while changing the annealing time and found that the large positive thermopower, + 757 μV K−1, was completely suppressed by annealing for only a few minutes and was eventually inverted to be the large negative value, − 427 μV K−1. This result would further accelerate intensive studies on SnSe nanostructures, especially focusing on the realistic device structures and sealing technologies for energy harvesting applications.

There has been increasing interest in the emerging ionic thermoelectric materials with huge ionic thermopower. However, it’s challenging to selectively tune the thermopower of all-solid-state polymer materials because the transportation of ions in all-solid-state polymers is much more complex than those of liquid-dominated gels. Herein, this work provides all-solid-state polymer materials with a wide tunable thermopower range (+20~−6 mV K−1), which is different from previously reported gels. Moreover, the mechanism of p-n conversion in all-solid-state ionic thermoelectric polymer material at the atomic scale was presented based on the analysis of Eastman entropy changes by molecular dynamics simulation, which provides a general strategy for tuning ionic thermopower and is beneficial to understand the fundamental mechanism of the p-n conversion. Furthermore, a self-powered ionic thermoelectric thermal sensor fabricated by the developed p- and n-type polymers demonstrated high sensitivity and durability, extending the application of ionic thermoelectric materials., Though high ionic thermopower and p-n conversion has been realized in liquid ionic thermoelectric materials, achieving similar performance in solid-state polymer materials remains a challenge. Here, the authors report all-solid-state thermoelectric polymer composites with tunable ionic thermopower.

In this study, we report the novel energy behavior of high-performance nanostructured materials in a segmented thermoelectric micro-generator (TEG). Several physical elements of the materials must be considered to determine their behavior in the thermoelectric energy conversion: temperature dependence of material properties, geometric structure, segmentation, and the symmetry of each or both p-type and n-type nanostructure semiconductor thermoelements. Recently, many efforts have reported effects independent on the thermoelectric performance of semiconductor materials. In this work, exhaustive research on the performance of high-performance nanostructured materials in a segmented thermoelectric micro-generator (TEG) was carried out. Our results show the efficiency and output power of the TEG using the temperature-dependent model, i.e., a variable internal resistance for a load resistance of the system. Our approach allows us to analyze symmetrical and asymmetric geometries, showing maximum and minimum peaks values in the performance of the TEG for specific $$\gamma $$ γ values. The performance of the TEG is improved by about $$6\%$$ 6 % and $$7\%$$ 7 % , for efficiency, and output power, respectively, considering a trapezoidal geometric shape in the 2p-3n segmented system, compared with the conventional rectangular shape.

A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 2300 W m-1 K-1. Here, we report an extreme exception that CuP2 has quite large mean sound speeds of 4155 m s-1, comparable to GaAs, but the single crystals show a very low lattice thermal conductivity of about 4 W m-1 K-1 at room temperature, one order of magnitude smaller than GaAs. To understand such a puzzling thermal transport behavior, we have thoroughly investigated the atomic structure and lattice dynamics by combining neutron scattering techniques with first-principles simulations. Cu atoms form dimers sandwiched in between the layered P atomic networks and the dimers vibrate as a rattling mode with frequency around 11 meV. This mode is manifested to be remarkably anharmonic and strongly scatters acoustic phonons to achieve the low k_{lat}. Such a dimer rattling behavior in layered structures might offer an unprecedented strategy for suppressing thermal conduction without involving atomic disorder., four figures and one table in the main text

We demonstrate thermo-electrochemical (TEC) conversion using a biocompatible redox couple of lactic acid and pyruvic acid on earth-abundant TiO2. The TEC cell exhibited a positive Seebeck coefficient of 1.40 mV K−1. DFT calculations figured out that the adsorption of intermediate species and protons on TiO2 controls both the redox reaction and current polarity.

The thermoelectric properties (TEPs), consisting of Seebeck coefficient, electrical resistivity and thermal conductivity, are infinite-dimensional vectors because they depend on temperature. Accordingly, a projection of them into a finite-dimensional space is inevitable for use in computers. In this paper, as a dimension reduction method, we validate the use of high-order polynomial interpolation of TEPs at Chebyshev nodes of the second kind. To avoid the numerical instability of high order Lagrange polynomial interpolation, we use the barycentric formula. The numerical tests on 276 sets of published TEPs show at least 8 nodes are recommended to preserve the positivity of electrical resistivity and thermal conductivity. With 11 nodes, the interpolation causes about 2% error in TEPs and only 0.4% error in thermoelectric generator module performance. The robustness of our method against noise in TEPs is also tested; as the relative error caused by the interpolation of TEPs is almost the same as the relative size of noise, the interpolation does not cause unnecessarily high oscillation at unsampled points. The accuracy and robustness of the interpolation indicate digitizing infinite-dimensional univariate material data is practicable with tens or less data points. Furthermore, since a large interpolation error comes from a drastic change of data, the interpolation can be used to detect an anomaly such as a phase transition.

We demonstrate a novel technique to achieve highly surface active, functional, and tunable hierarchical porous coated surfaces with high wickability using a combination of ball milling, salt-templating, and sintering techniques. Specifically, using ball-milling to obtain graphene nanoplatelets (GNP) draped copper particles followed by salt templated sintering to induce the strength and cohesiveness to the particles. The salt-templating method was specifically used to promote porosity on the coatings. A systematic study was conducted by varying size of the copper particles, ratio of GNP to copper particles, and process parameters to generate a variety of microporous coatings possessing interconnected pores and tunnels that were observed using electron microscopy. Pool boiling tests exhibited a very high critical heat flux of 289 W/cm2 at a wall superheat of just 2.2 °C for the salt templated 3 wt% GNP draped 20 µm diameter copper particles with exceedingly high wicking rates compared to non-salt-templated sintered coatings. The dramatic improvement in the pool boiling performance occurring at a very low surface temperature due to tunable surface properties is highly desirable in heat transfer and many other engineering applications.

Textile electronics are poised to revolutionize future wearable applications due to their wearing comfort and programmable nature. Many promising thermoelectric wearables have been extensively investigated for green energy harvesting and pervasive sensors connectivity. However, the practical applications of the TE textile are still hindered by the current laborious p/n junctions assembly of limited scale and mechanical compliance. Here we develop a gelation extrusion strategy that demonstrates the viability of digitalized manufacturing of continuous p/n TE fibers at high scalability and process efficiency. With such alternating p/n-type TE fibers, multifunctional textiles are successfully woven to realize energy harvesting on curved surface, multi-pixel touch panel for writing and communication. Moreover, modularized TE garments are worn on a robotic arm to fulfill diverse active and localized tasks. Such scalable TE fiber fabrication not only brings new inspiration for flexible devices, but also sets the stage for a wide implementation of multifunctional textile-electronics., Despite the potential of incorporating thermoelectric (TE) fibers into textile electronics for green energy harvesting, existing fabrication methods are not commercially viable. Here, the authors report a scalable gelation extrusion fabrication strategy for realizing alternating p/n-type TE fibers.