Enhanced Thermoelectric Properties of Ti2CO2-Bismuthene-Ti2CO2: Optimized Power Factor and Reduced Thermal Conductivity.

In this study, bismuthene was intercalated between bilayer Ti2CTx to induce significant modifications in its electronic and phonon structures, thereby enhancing its thermoelectric properties. First-principles calculations reveal that the insertion of bismuthene transforms the Ti2CO2 system from a semiconductor into a metal and optimizes the thermoelectric properties of bilayer Ti2CO2 by enhancing its power factor and reducing its lattice thermal conductivity. Under the first-principles calculation parameters used in this study, the ZT of the Ti2CO2 system increased from 0.12 to 0.55. Conversely, for metallic bilayer MXenes, the introduction of bismuthene led to a substantial decrease in ZT (from 0.53 to 0.11 in the Ti2C system and from 0.07 to 0.05 in the Ti2CCl2 system). This study investigates the physical mechanisms underlying the enhancement of thermoelectric properties from both electronic and phononic perspectives and provides theoretical insights into the development and application of MXene-based thermoelectric materials.

Electron-Phonon Interaction Mediated Gigantic Enhancement of Thermoelectric Power Factor Induced by Topological Phase Transition.

We propose an effective strategy to significantly enhance the thermoelectric power factor (PF) of a series of 2D semimetals and semiconductors by driving them toward a topological phase transition (TPT). Employing first-principles calculations with an explicit consideration of electron-phonon interactions, we analyze the electronic transport properties of germanene across the TPT by applying hydrogenation and biaxial strain. We reveal that the nontrivial semimetal phase, hydrogenated germanene with 8% biaxial strain, achieves a considerable 4-fold PF enhancement, attributed to the highly asymmetric electronic structure and semimetallic nature of the nontrivial phase. We extend the strategy to another two representative 2D materials (stanene and HgSe) and observe a similar trend, with a marked 7-fold and 5-fold increase in PF, respectively. The wide selection of functional groups, universal applicability of biaxial strain, and broad spectrum of 2D semimetals and semiconductors render our approach highly promising for designing novel 2D materials with superior thermoelectric performance.

First principle studies on structural, elastic, electronic, optical, and thermoelectric properties of new perovskite TlTaO3: For renewable energy applications.

The structural, optoelectronics, and transport properties of TlTaO3 compounds were determined utilizing the full potential augmented plane wave approach using first-principle method. We have considered the generalized gradient approximation for structural optimization and modified Becke-Johnson for electronic properties. The electronic properties reveal that the studied TlTaO3 possesses direct bandgap of magnitude 1.52 eV. Between 0 and 12 eV, optical spectra calculations are made, taking into account the real and imaginary parts of the dielectric function, refractive index, and loss function. The transport properties are estimated considering Boltzmann transport theory. The Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor are all assessed using the Boltzmann transport theory. The optimized thermoelectric response of the examined TlTaO3 is produced by the improved carrier mobility, which also improves the thermoelectric efficiency of the TlTaO3. The obtained results will act as a theoretical road map for upcoming experimental and commercial TlTaO3 applications.

Disordered Ballistic Bismuth Nano-waveguides for Highly Efficient Thermoelectric Energy Conversion.

Junctions based on electronic ballistic waveguides, such as semiconductor nanowires or nanoribbons with transverse structural variations in the order of a large fraction of their Fermi wavelength, are suggested as highly efficient thermoelectric (TE) devices. Full harnessing of their potential requires a capability to either deterministically induce structural variations that tailor their transmission properties at the Fermi level or alternatively to form waveguides that are disordered (chaotic) but can be structurally modified continuously until favorable TE properties are achieved. Well-established methods to realize either of these routes do not exist. Here, disordered bismuth (Bi) waveguides are reported, which are both formed and structurally tuned by electromigration until their efficiency as TE devices is maximized. In accordance with theory, the conductance of the most efficient TE waveguides is in the sub quantum of conductance regime. The stability of these structures is found to be substantially higher than other actively studied devices such as single molecule junctions.

Significant Enhancement of Thermoelectric Performance in Bi0.5 Sb1.5 Te3 Thin Film via Ferroelectric Polarization Engineering.

The Bi0.5 Sb1.5 Te3 (BST) thin film shows great promise in harvesting low-grade heat energy due to its excellent thermoelectric performance at room temperature. In order to further enhance its thermoelectric performance, specifically the power factor and output power, new approaches are highly desirable beyond the common "composition-structure-performance" paradigm. This study introduces ferroelectric polarization engineering as a novel strategy to achieve these goals. A Pb(Zr0.52 Ti0.48 )O3 /Bi0.5 Sb1.5 Te3 (PZT/BST) hybrid film is fabricated via magnetron sputtering. Density functional theory calculations demonstrate PZT polarization's influence on charge redistribution and interlayer charge transfer at the PZT/BST interface, facilitating adjustable carrier transport behavior and power factor of the BST film. As a result, a 26.7% enhancement of the power factor, from unpolarized 12.0 to 15.2 µW cm-1 K-2 , is reached by 2 kV out-of-plane downward polarization of PZT. Furthermore, a five-leg generator constructed using this PZT/BST hybrid film exhibits a maximum output power density of 13.06 W m-2 at ΔT = 39 K, which is 20.8% higher than that of the unpolarized one (10.81 W m-2 ). The research presents a new approach to enhance thermoelectric thin films' power factor and output performance by introducing ferroelectric polarization engineering.

Vacancy Suppression and Resonant Level Rendering Extraordinary Power Factor in Sn0.99In0.01Te/Tourmaline Composite.

SnTe, as a potential medium-temperature thermoelectric material, reaches a maximum power factor (PF) usually above 750 K, which is not conducive to continuous high-power output in practical applications. In this study, PF is maintained at high values between 18.5 and 25 µW cm-1 K-2 for Sn0.99In0.01Te-x wt% tourmaline samples within the temperature range of 323 to 873 K, driving the highest PFeng of 1.2 W m-1 K-1 and PFave of 22.5 µW cm-1 K-2, over 2.5 times that of pristine SnTe. Such an extraordinary PF is attributed to the synergy of resonant levels and Sn vacancy suppression. Specifically, the Seebeck coefficient increases dramatically, reaching 88 µV K-1 at room temperature. Meanwhile, by Sn vacancy suppression, carrier concentration, and mobility are optimized to ≈1019 cm-3 and 740 cm2 V-1 s-1, respectively. With the tourmaline compositing, Sn vacancies are further suppressed and the thermal conductivity simultaneously decreases, with the minimum lattice thermal conductivity of 0.9 W m-1 K-1. Finally, the zT value ≈0.8 is obtained in the Sn0.99In0.01Te sample. The peak of the power output density reaches 0.89 W cm-2 at a temperature difference of 600 K. Such SnTe alloys with high and "temperature-independent" PF will offer an option for realizing high output power in thermoelectric devices.

Few-layer Bi2O2Se: A promising candidate for high-performance near-room-temperature thermoelectric applications.

Advancements in high-temperature thermoelectric materials have been substantial, yet identifying promising near-room-temperature candidates for efficient power generation from low-grade waste heat or thermoelectric cooling applications has become critical but proven exceedingly challenging. Bismuth oxyselenide (Bi2O2Se) emerges as an ideal candidate for near-room-temperature energy harvesting due to its low thermal conductivity, high carrier mobility and remarkable air-stability. In this study, the thermoelectric properties of few-layer Bi2O2Se over a wide temperature range (20 - 380 K) are investigated, where a charge transport mechanism transitioning from polar optical phonon (POP) to piezoelectric scattering at 140 K is observed. Moreover, the Seebeck coefficient (S) increases with temperature up to 280 K then stabilizes at ~-200 µV/K through 380 K. Bi2O2Se demonstrates high mobility (450 cm2V-1s-1) within the optimum power factor (PF) window, despite its T^(-1.25) dependence. The high mobility compensates the minor reduction in carrier density n2D hence contributes to maintain a robust electrical conductivity ~3x104 S/m. This results in a remarkable PF of 860 µW m-1K-2 at 280 K without the necessity for gating (Vg = 0 V), reflecting the innate performance of the as-grown material. These results underscore the considerable promise of Bi2O2Se for room temperature thermoelectric applications.

Effortless Totem-Pole Converter Control Using a Power Factor Correction Peak Current-Mode Controller.

This paper expands a recently proposed peak current-mode (PCM) control method for a power factor correction (PFC) boost converter to include the totem-pole converter and solves the controller's compatibility problem with the totem-pole converter by proposing three input current sensing methods. Using MATLAB/Simulink 2023b, simulation experiments on a 2 kW totem-pole converter utilizing the PFC PCM controller were carried out to assess the performance of the controller with the proposed sensing methods. The findings indicate that under steady-state conditions, all three proposed sensing methods performed input current shaping successfully and yielded nearly identical THD% of about 4.4% in the input current waveform. However, it is noteworthy that method 2, referred to as the memory method, exhibited a sluggish and less robust transient response in comparison to the swift and resilient responses observed with method 1 and method 3. Additionally, the third proposed method, which involves a single current sensor positioned across the input inductor, emerged as the optimal and cost-effective sensing solution. This method achieved the same desirable attributes of fast and robust control while utilizing only a single current sensor, a notable advantage over method 1, which employs two current sensors.

Ambipolar Thickness-Dependent Thermoelectric Measurements of WSe2.

Thermoelectric materials can harvest electrical energy from temperature gradients, and could play a role as power supplies for sensors and other devices. Here, we characterize fundamental in-plane electrical and thermoelectric properties of layered WSe2 over a range of thicknesses, from 10 to 96 nm, between 300 and 400 K. The devices are electrostatically gated with an ion gel, enabling us to probe both electron and hole regimes over a large range of carrier densities. We extract the highest n- and p-type Seebeck coefficients for thin-film WSe2, -500 and 950 µV/K respectively, reported to date at room temperature. We also emphasize the importance of low substrate thermal conductivity on such lateral thermoelectric measurements, improving this platform for future studies on other nanomaterials.

Densification Induced Decoupling of Electrical and Thermal Properties in Free-Standing MWCNT Films for Ultrahigh p- and n-Type Power Factors and Enhanced ZT.

Generating sufficient power from waste heat is one of the most important things for thermoelectric (TE) techniques in numerous practical applications. The output power density of an organic thermoelectric generator (OTEG) is proportional to the power factors (PFs) and the electrical conductivities of organic materials. However, it is still challenging to have high PFs over 1 mW m-1  K-2 in free-standing films together with high electrical conductivities over 1000 S cm-1 . Herein, densifying multi-walled carbon nanotube (MWCNT) films would increase their electrical conductivity dramatically up to over 10 000 S cm-1 with maintained high Seebeck coefficients >60 µV K-1 , thus leading to ultrahigh PFs of 7.25 and 4.34 mW m-1  K-2 for p- and n-type MWCNT films, respectively. In addition, it is interesting to notice that the electrical properties increase faster than the thermal conductivities, resulting in enhanced ZT of 3.6 times in MWCNT films. An OTEG made of compressed MWCNT films is fabricated to demonstrate the heat-to-electricity conversion ability, which exhibits a high areal output power of ∼12 times higher than that made of pristine MWCNT films. This work demonstrates an effective way to high-performance nanowire/nanoparticle-based TE materials such as printable TE materials comprised of nanowires/nanoparticles.

2D Bi2Te3/Si heterostructure with high thermoelectric power factor enabled by interface regulated carrier injection.

It has been highly demanded to optimize the charge carrier concentration in 2D Bi2Te3to achieve enhanced thermoelectric performance. This work reveals that, constructing 2D Bi2Te3/Si heterostructure with tuned interfacial electronic band structure can meet the above needs. When the work function in Si substrate is decreased from 4.6 to 4.06 eV, the charge carrier concentration and electron effective mass are increased simultaneously. Consequently, the electrical conductivity of 2D Bi2Te3on n++-Si has reaches up to 1250 S·cm-1, which is 90% higher than the counterpart on SiO2/Si substrate, although the Seebeck coefficient in these two samples is around -103µV·K-1. The resultant power factor of 2D Bi2Te3/n++-Si heterostructure is 13.4µW·cm-1·K-2, which is one of the best values among similar studies ever reported. This work demonstrates a facile way to improve thermoelectric properties via interfacial engineering in a heterostructure.

Blended Conjugated Host and Unconjugated Dopant Polymers Towards N-type All-Polymer Conductors and High-ZT Thermoelectrics.

N-Type thermoelectrics typically consist of small molecule dopant+polymer host. Only a few polymer dopant+polymer host systems have been reported, and these have lower thermoelectric parameters. N-type polymers with high crystallinity and order are generally used for high-conductivity ( σ ${\sigma }$ ) organic conductors. Few n-type polymers with only short-range lamellar stacking for high-conductivity materials have been reported. Here, we describe an n-type short-range lamellar-stacked all-polymer thermoelectric system with highest σ ${\sigma }$ of 78 S-1 , power factor (PF) of 163 µW m-1 K-2 , and maximum Figure of merit (ZT) of 0.53 at room temperature with a dopant/host ratio of 75 wt%. The minor effect of polymer dopant on the molecular arrangement of conjugated polymer PDPIN at high ratios, high doping capability, high Seebeck coefficient (S) absolute values relative to σ ${\sigma }$ , and atypical decreased thermal conductivity ( κ ${\kappa }$ ) with increased doping ratio contribute to the promising performance.

Ultrahigh Power Factor and Ultralow Thermal Conductivity at Room Temperature in PbSe/SnSe Superlattice: Role of Quantum-Well Effect.

Reduced dimension is one of the effective strategies to modulate thermoelectric properties. In this work, n-type PbSe/SnSe superlattices with quantum-well (QW) structure are fabricated by pulsed laser deposition. Here, it is demonstrated that the PbSe/SnSe multiple QW (MQW) shows a high power factor of ≈25.7 µW cm-1 K-2 at 300 K, four times larger than that of PbSe single layers. In addition, thermal conductivity falls below 0.32 ± 0.06 W m-1 K-1 due to the phonon scattering at interface when the PbSe well thickness is confined within the scale of phonon mean free path (1.8 nm). Featured with ultrahigh power factor and ultralow thermal conductivity, ZT at room temperature is significantly increased from 0.14 for PbSe single layer to 1.6 for PbSe/SnSe MQW.

Recent Advances and Prospects of Small Molecular Organic Thermoelectric Materials.

Thermoelectric (TE) materials possess unique energy conversion capabilities between heat and electrical energy. Small organic semiconductors have aroused widespread attention for the fabrication of TE devices due to their advantages of low toxicity, large area, light weight, and easy fabrication. However, the low TE properties hinder their large-scale commercial application. Herein, the basic knowledge about TE materials, including parameters affecting the TE performance and the remaining challenges of the organic thermoelectric (OTE) materials, are initially summarized in detail. Second, the optimization strategies of power factor, including the selection and design of dopants and structural modification of the dope-host are introduced. Third, some achievements of p- and n-type small molecular OTE materials are highlighted to briefly provide their future developing trend; finally, insights on the future development of OTE materials are also provided in this study.

Enhanced Thermoelectric Power Factor in Carrier-Type-Controlled Platinum Diselenide Nanosheets by Molecular Charge-Transfer Doping.

2D transition metal dichalcogenides (TMDCs) have revealed great promise for realizing electronics at the nanoscale. Despite significant interests that have emerged for their thermoelectric applications due to their predicted high thermoelectric figure of merit, suitable doping methods to improve and optimize the thermoelectric power factor of TMDCs have not been studied extensively. In this respect, molecular charge-transfer doping is utilized effectively in TMDC-based nanoelectronic devices due to its facile and controllable nature owing to a diverse range of molecular designs available for modulating the degree of charge transfer. In this study, the power of molecular charge-transfer doping is demonstrated in controlling the carrier-type (n- and p-type) and thermoelectric power factor in platinum diselenide (PtSe2 ) nanosheets. This, combined with the tunability in the band overlap by changing the thickness of the nanosheets, allows a significant increase in the thermoelectric power factor of the n- and p-doped PtSe2 nanosheets to values as high as 160 and 250 µW mK-2 , respectively. The methodology employed in this study provides a simple and effective route for the molecular doping of TMDCs that can be used for the design and development of highly efficient thermoelectric energy conversion systems.

Investigating the key role of carrier transport mechanism in SnSe nanoflakes with enhanced thermoelectric power factor.

A novel SnSe nanoflake system is explored for its thermoelectric properties from both experiments andab initiostudy. The nanoflakes of the low temperature phase of SnSe (Pnma) are synthesized employing a fast and efficient refluxing method followed by spark plasma sintering at two different temperatures. We report an enhanced power factor (12-67µW mK-2in the temperature range 300-600 K) in our p-type samples. We find that the prime reason for a high PF in our samples is a significantly improved electrical conductivity (1050-2180 S m-1in the temperature range 300-600 K). From ourab initioband structure calculations accompanied with the models of temperature and surface dependent carrier scattering mechanisms, we reveal that an enhanced electrical conductivity is due to the reduced carrier-phonon scattering in our samples. The transport calculations are performed using the Boltzmann transport equation within relaxation time approximation. With our combined experimental and theoretical study, we demonstrate that the thermoelectric properties of p-type Pnma-SnSe could be improved by tuning the carrier scattering mechanisms with a control over the spark plasma sintering temperature.

A Modular Cooperative Wall-Climbing Robot Based on Internal Soft Bone.

Most existing wall-climbing robots have a fixed range of load capacity and a step distance that is small and mostly immutable. It is therefore difficult for them to adapt to a discontinuous wall with particularly large gaps. Based on a modular design and inspired by leech peristalsis and internal soft-bone connection, a bionic crawling modular wall-climbing robot is proposed in this paper. The robot demonstrates the ability to handle variable load characteristics by carrying different numbers of modules. Multiple motion modules are coupled with the internal soft bone so that they work together, giving the robot variable-step-distance functionality. This paper establishes the robotic kinematics model, presents the finite element simulation analysis of the model, and introduces the design of the multi-module cooperative-motion method. Our experiments show that the advantage of variable step distance allows the robot not only to quickly climb and turn on walls, but also to cross discontinuous walls. The maximum climbing step distance of the robot can reach 3.6 times the length of the module and can span a discontinuous wall with a space of 150 mm; the load capacity increases with the number of modules in series. The maximum load that N modules can carry is about 1.3 times the self-weight.

Effect of Side Chain Substituent Volume on Thermoelectric Properties of IDT-Based Conjugated Polymers.

A p-type thermoelectric conjugated polymer based on indacenodithiophene and benzothiadiazole is designed and synthesized by replacing normal aliphatic side chains (P1) with conjugated aromatic benzene substituents (P2). The introduced bulky substituent on P2 is detrimental to form the intensified packing of polymers, therefore, it hinders the efficient transporting of the charge carriers, eventually resulting in a lower conductivity compared to that of the polymers bearing aliphatic side chains (P1). These results reveal that the modification of side chains on conjugated polymers is crucial to rationally designed thermoelectric polymers with high performance.

Excellent Room-Temperature Thermoelectricity of 2D GeP3: Mexican-Hat-Shaped Band Dispersion and Ultralow Lattice Thermal Conductivity.

Although some atomically thin 2D semiconductors have been found to possess good thermoelectric performance due to the quantum confinement effect, most of their behaviors occur at a higher temperature. Searching for promising thermoelectric materials at room temperature is meaningful and challenging. Inspired by the finding of moderate band gap and high carrier mobility in monolayer GeP3, we investigated the thermoelectric properties by using semi-classical Boltzmann transport theory and first-principles calculations. The results show that the room-temperature lattice thermal conductivity of monolayer GeP3 is only 0.43 Wm-1K-1 because of the low group velocity and the strong anharmonic phonon scattering resulting from the disordered phonon vibrations with out-of-plane and in-plane directions. Simultaneously, the Mexican-hat-shaped dispersion and the orbital degeneracy of the valence bands result in a large p-type power factor. Combining this superior power factor with the ultralow lattice thermal conductivity, a high p-type thermoelectric figure of merit of 3.33 is achieved with a moderate carrier concentration at 300 K. The present work highlights the potential applications of 2D GeP3 as an excellent room-temperature thermoelectric material.

Thermoelectric Properties of InA Nanowires from Full-Band Atomistic Simulations.

In this work we theoretically explore the effect of dimensionality on the thermoelectric power factor of indium arsenide (InA) nanowires by coupling atomistic tight-binding calculations to the Linearized Boltzmann transport formalism. We consider nanowires with diameters from 40 nm (bulk-like) down to 3 nm close to one-dimensional (1D), which allows for the proper exploration of the power factor within a unified large-scale atomistic description across a large diameter range. We find that as the diameter of the nanowires is reduced below d < 10 nm, the Seebeck coefficient increases substantially, as a consequence of strong subband quantization. Under phonon-limited scattering conditions, a considerable improvement of ~6× in the power factor is observed around d = 10 nm. The introduction of surface roughness scattering in the calculation reduces this power factor improvement to ~2×. As the diameter is decreased to d = 3 nm, the power factor is diminished. Our results show that, although low effective mass materials such as InAs can reach low-dimensional behavior at larger diameters and demonstrate significant thermoelectric power factor improvements, surface roughness is also stronger at larger diameters, which takes most of the anticipated power factor advantages away. However, the power factor improvement that can be observed around d = 10 nm could prove to be beneficial as both the Lorenz number and the phonon thermal conductivity are reduced at that diameter. Thus, this work, by using large-scale full-band simulations that span the corresponding length scales, clarifies properly the reasons behind power factor improvements (or degradations) in low-dimensional materials. The elaborate computational method presented can serve as a platform to develop similar schemes for two-dimensional (2D) and three-dimensional (3D) material electronic structures.