Excellent Power Factor Research Articles

Semiconducting Carbon Nanotube Extraction Enabled by Alkylated Cellulose Wrapping.

With the growing demand for postsilicon electronics, the purification of single-walled carbon nanotubes (SWCNTs) in terms of their chirality, which defines their atomic and electronic structure, is becoming increasingly important. Herein, we demonstrate the selective extraction of high-quality semiconducting SWCNTs using alkyl cellulose as a dispersant in organic solvents. We investigated the separation factors of dispersant structures, such as the degree of substitution (DS) and molecular weight, and clarified the appropriate dispersant structures, such as moderately substituted hexyl cellulose, for selective semiconducting SWCNT extraction. Due to the improved purity and quality of the semiconducting SWCNTs obtained by this method, their films exhibit excellent thermoelectric power factors, outperforming not only unsorted SWCNTs but also conducting polymer-sorted SWCNTs. This sorting technology paves the way for supplying high-quality semiconducting SWCNTs in a viable manner.

Four-Phonon Enhanced the Thermoelectric Properties of ScSX (X = Cl, Br, and I) Monolayers.

Recently, the FeOCl-type two-dimensional materials have attracted significant attention owing to their versatile applications in fields such as thermoelectricity and photocatalysis. This study aims to systematically investigate the thermoelectric properties of ScSX (X = Cl, Br, and I) monolayers by a combination of the first-principles calculations and the machine-learning interatomic potential approach. These monolayers are indirect semiconductors with band gaps of 3.22 (ScSCl), 3.27 (ScSBr), and 2.87 eV (ScSI), respectively. The lattice thermal conductivity is decreased by 25.72% (20.90%), 44.05% (40.00%), and 30.96% (34.76%) for ScSCl, ScSBr, and ScSI along the x-axis (y-axis) when the four-phonon scattering is introduced, indicating its important role in phonon transport. Anharmonic phonon scattering yields high Grüneisen parameter and scattering rate values, hence causing these low lattice thermal conductivities. Additionally, the large Seebeck coefficients and electrical conductivities of n-type doped ScSX monolayers contribute to their excellent power factors (24.69, 25.66, and 24.99 mW/K2·m for ScSCl, ScSBr and ScSI at 300 K, respectively). Based on the excellent power factor and low thermal conductivity, the maximum values of the figure of merit are calculated to be 2.68, 3.39, and 3.21 for ScSCl, ScSBr, and ScSI monolayers at 700 K, respectively. Our research provides valuable insights into the phonon thermal transport of ScSX monolayers and suggests a promising approach to address high-order anharmonicity.

Dual-optimization of transport properties enabled by high-pressure treatments for CuInTe2 thermoelectric materials

CuInTe2 is the focus of much research interest in I-III-VI2 diamondoid compounds due to its potentially high thermoelectric performance. However, its unmatched transport behaviors among electrical and thermal properties seriously impede enhanced thermoelectric performance. In this work, we demonstrate that high pressure can dual-optimize the electrical and thermal transport properties, leading to enhanced thermoelectric performance in CuInTe2 with cationic defects. The results indicate that the carrier concentration level is increased while greatly enhancing carrier mobility owing to the influence of high pressure on the band and electronic structures, realizing an excellent power factor of 1406 μWm−1K−2. Furthermore, high-pressure treatments and cationic defects can introduce multiple defect structures with various sizes, strongly scattering full-frequency phonons to reduce lattice thermal conductivity. With these great merits enabled by high pressure, the thermoelectric performance of CuInTe2 with cationic defects is improved and a maximum zT of 1.12 is obtained at 773 K, fully verifying the advantages of high-pressure treatments in terms of improving transport properties.

Modifying Roles of CuSbSe2 in Realizing High Thermoelectric Performance of GeTe

AbstractThermoelectric materials are widely researched for their energy conversion capabilities in the fields of power generation and refrigeration. And a superior thermoelectric conversion efficiency requires an excellent power factor and low thermal conductivity. Herein, a remarkable thermoelectric figure of merit（ZT） ∼ 2.6 at 673 K is realized in GeTe with 20% addition of CuSbSe2. Multiple synergistic effects of CuSbSe2 alloying collectively contribute to the excellent thermoelectric performance in GeTe. CuSbSe2 alloying effectively tunes ultrahigh carrier density of GeTe to the optimum. The introduction of Cu, Sb, and Se atoms create numerous point defects that scatter high‐frequency phonons. Additionally, surplus CuSbSe2 facilitates the formation of copper‐selenium phases, which embed at grain boundaries and generate interfaces after sintering. Combining the planar defects evolved from Ge vacancies, multi‐dimension defects effectively scatter multiple frequency phonons. An extraordinarily low lattice thermal conductivity of 0.3 Wm−1 K−1 at 673 K is obtained, approaching the theoretical estimation predicted by Cahill model. Eventually, the peak conversion efficiency of 7.4% is obtained in segmented device with ΔT of 419 K. The commingled effects of CuSbSe2 in GeTe further open up an elitist route to designing high‐performance materials.

Ultrahigh power factor and excellent solar efficiency in two-dimensional hexagonal group-IV–V nanomaterials

The mesmerizing physical properties of two-dimensional (2D) nanomaterials have resulted in their enormous potential for high-power solar energy conversion and long-term stability devices. The present work systematically investigated the fundamental properties of monolayered 2D group-IV–V materials using a combined approach of first-principles calculations and Boltzmann transport theory, specifically the thermoelectric and optical properties, for the first time. The structural and lattice dynamics analysis disclosed the energetic, dynamical, and mechanical stabilities of 17 out of 25 considered materials. The electronic properties’ calculation shows that all the stable materials exhibit a semiconducting nature. Additionally, the energy–momentum relation in a few systems reveals the quartic Mexican-hat-like dispersion in their valence band edges. Owing to the larger depth of Mexican-hat dispersion and the larger height of density step function modes, the hole carrier mobilities of SnN (761.43 m2/Vs), GeN (422.80 m2/Vs), and SiN (108.90 m2/Vs) materials were found to be significantly higher than their electron mobilities at room temperature. The achieved high Seebeck coefficient and electrical conductivity at room temperature result in excellent thermoelectric power factors for GeN (3190 mW/mK2), SiN (1473 mW/mK2), and CAs (774 mW/mK2) materials, manifesting their potential for thermoelectric devices. Further, the calculated optical and solar parameters demonstrate an exceptionally high value (27.25%) of theoretical limits of power conversion efficiency for the SnBi material, making it a suitable candidate as a light-absorbing material in solar cell devices. The present theoretical work filters out the potential 2D group-IV–V materials for solar and heat energy-harvesting devices.

Application of Tilt Integral Derivative for Efficient Speed Control and Operation of BLDC Motor Drive for Electric Vehicles

This study presents the tilt integral derivative (TID) controller technique for controlling the speed of BLDC motors in order to improve the real-time control of brushless direct current motors in electric vehicles. The TID controller is applied to the considered model to enhance its performance, e.g., torque and speed. This control system manages the torque output, speed, and position of the motor to ensure precise and efficient operation in EV applications. Brushless direct current motors are becoming more and more popular due to their excellent torque, power factor, efficiency, and controllability. The differences between PID, TID, and PI controllers are compared. The outcomes demonstrated that the TID control enhanced the torque and current stability in addition to the BLDC system’s capacity to regulate speed. TID controllers provide better input power for BLDC (brushless DC) drives than PI and PID controllers do. Better transient responsiveness and robustness to disturbances are features of TID controller design, which can lead to more effective use of input power. TID controllers are an advantageous choice for BLDC drive applications because of their increased performance, which can result in increased system responsiveness and overall efficiency. In an experimental lab, a BLDC motor drive prototype is implemented in this study. To fully enhance the power electronic subsystem and the brushless DC motor’s real-time performance, a test bench was also built.

Modulation of the morphotropic phase boundary for high-performance ductile thermoelectric materials

The flexible thermoelectric technique, which can convert heat from the human body to electricity via the Seebeck effect, is expected to provide a peerless solution for the power supply of wearables. The recent discovery of ductile semiconductors has opened a new avenue for flexible thermoelectric technology, but their power factor and figure-of-merit values are still much lower than those of classic thermoelectric materials. Herein, we demonstrate the presence of morphotropic phase boundary in Ag2Se-Ag2S pseudobinary compounds. The morphotropic phase boundary can be freely tuned by adjusting the material thermal treatment processes. High-performance ductile thermoelectric materials with excellent power factor (22 μWcm−1 K−2) and figure-of-merit (0.61) values are realized near the morphotropic phase boundary at 300 K. These materials perform better than all existing ductile inorganic semiconductors and organic materials. Furthermore, the in-plane flexible thermoelectric device based on these high-performance thermoelectric materials demonstrates a normalized maximum power density reaching 0.26 Wm−1 under a temperature gradient of 20 K, which is at least two orders of magnitude higher than those of flexible organic thermoelectric devices. This work can greatly accelerate the development of flexible thermoelectric technology.

High-Performance n-Type Polymeric Mixed Ionic-Electronic Conductors: The Impacts of Halogen Functionalization.

Developing high-performance n-type polymer mixed ionic-electronic conductors (PMIECs) is a grand challenge, which largely determines their applications in vaious organic electronic devices, such as organic electrochemical transistors (OECTs) and organic thermoelectrics (OTEs). Herein, two halogen-functionalized PMIECs f-BTI2g-TVTF and f-BTI2g-TVTCl built from fused bithiophene imide dimer (f-BTI2) as the acceptor unit and halogenated thienylene-vinylene-thienylene (TVT) as the donor co-unit are reported. Compared to the control polymer f-BTI2g-TVT, the fluorinated f-BTI2g-TVTF shows lower-positioned lowest unoccupied molecular orbital (LUMO), improved charge transport property, and greater ion uptake capacity. Consequently, f-BTI2g-TVTF delivers a state-of-the-artµC* of 90.2 F cm-1 V-1 s-1 with a remarkable electron mobility of 0.41 cm2 V-1 s-1 in OECTs and an excellent power factor of 64.2 µW m-1 K-2 in OTEs. An OECT-based inverter amplifier is further demonstrated with voltage gain up to 148V V-1 , which is among the highest values for OECT inverters. Such results shed light on the impacts of halogen atoms on developing high-performing n-type PMIECs.

Enhancement on thermoelectric performance by Ti doping and vacancies

Due to the exceptionally low lattice thermal conductivity, AgSbTe2 has emerged as a promising thermoelectric material. However, unlike other IV-VI compounds, most reported AgSbTe2 samples exhibit relatively poor electrical performance due to low carrier concentration. Herein, an unusually strategy of introducing dopants and vacancies on the same site of Sb is adopted, which significantly improves the electrical performance of AgSbTe2. It is found that Ti doping on Sb site can increase the carrier concentration and promote band convergence, based on which the introduction of Sb vacancy further enlarges the carrier concentration to approach the optimal value without affecting the carrier mobility. Consequently, an excellent average power factor of 1.4 mW m−1K−2 is achieved in AgSb0.94 Ti0.05Te2 from 323 K to 623 K. Combining with reduced thermal conductivity due to strengthened phonon scattering induced by the abundant lattice defects, a peak zT of 1.8 and a high average zT of 1.3 are attained. These results provide some new insights for improving the thermoelectric performance of AgSbTe2 based compounds.

Magnetoelectric coupling and thermoelectric behaviors in Ni-doped CuCrO[formula omitted] crystallites

A novel and effective approach to improve thermoelectric conversion efficiency is of utmost importance for its commercial viability. The increased ferromagnetism caused by the Ni-doping alters the antiferromagnetic interactions between Cr3+ ions in CuCrO2 and likely produces the conical-like spin component. The magnetostrictive ferromagnetic Ni2+ doped CuCrO2 generates stress through the elastic property at the grain interface and piezoelectricity which couples and generates an electric field. The built-in electric field and magnetic scattering produced by magnetic doping reduce carrier concentration and mobility and raise the Seebeck coefficient. The engendered multiferroic nature and the alteration of electron transport properties with magnetic phase transition from ferromagnetic to paramagnetic of Ni2+ doped CuCrO2 are evidenced by magnetoresistance and vibrating-sample magnetometry (VSM) investigations. The magnetic inclusion of Ni2+ generates carrier magnon drag which steers the highest Seebeck coefficient of 625 μV/K at 100 °C. The conductivity of 4203 S/m and the Seebeck coefficient of 386 μV/K leads excellent power factor (S2σ) of 0.62 mW/mK2 and ZT of 0.163 at 700 °C. The Ni2+ dopants, on the other hand, cause broad frequency phonon scattering, which significantly lowers the lattice thermal conductivity of CuCrO2. This study demonstrates how magnetic particle-induced thermoelectromagnetic coupling effects can significantly boost the efficiency of electro-thermal conversion.

Constructing quasi-layered and self-hole doped SnSe oriented films to achieve excellent thermoelectric power factor and output power density

Thermoelectric (TE) technology can achieve the mutual conversion between electric energy and waste heat, and it has exhibited great prospects in multifunctional energy applications to alleviate the energy crisis. In the recent decade, SnSe has been explored widely because of its potentially high energy harvesting efficiency, green nature, and low cost. However, the relatively poor power factor (PF) derived from the intrinsic low carrier concentration (∼1017 cm−3) limits the output power density of the stoichiometric SnSe devices. Therefore, the advancement of novel optimization strategies for controlling carrier concentration is of utmost importance. Besides, compared with 3D bulks, 2D thin films are more compatible with modern semiconductor technology and have unique advantages in the construction and application of TE micro- and nano-devices. In this study, post-selenization technology were applied to increase the carrier concentration of the a-axis oriented SnSe epitaxial films utilizing the charge transfer and self-hole doped effects. The quasi-layered and self-hole doped films exhibited a high power factor of ∼5.9 µW cm−1 K−2 at 600 K along the in-plane direction when the carrier concentration is enhanced to ∼1018 cm−3 by increasing the selenization time to ∼20 min. The TE generator composed of four P-type film legs demonstrated the ultrahigh maximum power density of ∼83, ∼838 µW cm−2 at the temperature difference of ∼50 and ∼90 K, respectively. Post-selenization can effectively optimize the carrier concentration of SnSe-based materials, which is also feasible to other anion deficient TE films.

Robust Adaptive Super Twisting Algorithm Sliding Mode Control of a Wind System Based on the PMSG Generator

In the field of optimizing wind system control approaches and enhancing the quality of electricity generated on the grid, this research makes a fresh addition. The Sliding Mode Control (SMC) technique produces some fairly intriguing outcomes, but it has a severe flaw in the oscillations (phenomenon of reluctance: chattering) that diminish the system’s efficiency. In this paper, an AST (adaptive super twisting) approach is proposed to control the wind energy conversion system of the permanent magnet synchronous generator (PMSG), which is connected to the electrical system via two converters (grid-side and machine-side) and a capacitor serves as a DC link between them. This research seeks to regulate the generator and grid-side converter to monitor the wind rate reference given by the MPPT technique in order to eliminate the occurrence of the chattering phenomenon. With the help of this approach, precision and stability flaws will be resolved, and the wind system will perform significantly better in terms of productivity. To evaluate the performance of each control in terms of reference tracking, response time, stability, and the quality of the signal sent to the network under different wind conditions, a detailed description of the individual controls is given, preceded by a simulation in the Matlab/Simulink environment. The simulation study validates the control method and demonstrates that the AST control based on the Lyapunov stability theory provides excellent THD and power factor results. This work is completed by a comparative analysis of the other commands to identify the effect on the PMSG wind energy conversion system.

Thermoelectric properties and microstructure of nanocomposite Sb-GeO2 and Sb–TiO2 thin films

This work reports on fabrication and thermoelectric properties of Sb-GeO2 and Sb–TiO2 nanocomposite thin films. The formation of nanocomposite structure includes the precipitation of Sb phase and the amorphous GeO2 or TiO2 phase. In the Sb-GeO2 nanocomposite, the formation of large rhombohedral Sb grains is observed, where monoclinic Sb are formed as intermediate phase. This contributes remarkably to the elevation of conductivity, while results in the reduction of Seebeck coefficient and power factor. Contrary, the effective inhibition of Sb crystallization caused by TiO2 leads to the smaller monoclinic and rhombohedral Sb grains with homogeneous distribution in annealed Sb–TiO2 thin film. The existence of monoclinic Sb facilitates to acquire excellent thermoelectric properties. Tiny grains within the films introduce more grain boundaries, making it possible to scatter and filter low energy carriers. This leads to high conductivity, remarkable rise of the Seebeck coefficient, and excellent power factor of 765.5 μW/mK2 at 650 K. The results demonstrate that the Sb–TiO2 nanocomposite materials with high power factor can be a candidate for thermoelectric devices.

Multiport PV-Assisted Electric-Drive-Reconstructed Bidirectional Charger With G2V and V2G/V2L Functions for SRM Drive-Based EV Application

This paper develops a highly-integrated solar-assisted switched reluctance motor (SRM) drive for electric vehicle (EV) applications with electric-drive-reconstructed grid-to-vehicle (G2V) and vehicle-to-grid (V2G)/vehicle-to-load (V2L) functions. The flexible and efficient multimode energy transmission is realized among SRM, battery pack, solar photovoltaic (PV) panels, and AC grid. Under motoring condition, the standard switch modules are employed to implement bipolar current excitation and regenerative braking, which provides great benefits for balanced heat dissipation design and massive production of SRM drives for EVs. Under idle condition, the G2V and V2G/V2L modes can be well-regulated by multiplexing and reconstructing SRM windings and converter topology. The EV can be completely stationary without extra clamping device under the adopted positioning strategy. The battery pack can be charged by the developed bridgeless interleaved boost converter with excellent power factor correction capability, and can also act as discharging source to power the AC/DC grids/loads flexibly cooperated with the PV panels. A proof-of-concept prototype platform is built and the experiments based on a 1 kW three-phase 12/8 SRM are carried out to validate the feasibility of the proposed SRM system.

Enhancing power factor and ZT in non-toxic Bi2S3 bulk materials via band engineering and electronic structure modulation

Bismuth sulfide-based thermoelectric materials have attracted considerable interest owing to their abundance of raw materials and non-toxicity. However, their poor electrical properties, particularly their conductivity, have limited their practical applications. In this work, a melting method and spark plasma sintering were employed to synthesize bulk Bi2S3 materials. The dopant MoCl5 was used to regulate the electrical properties of Bi2S3. The results showed that Mo can significantly enhance the conductivity of Bi2S3 compared to other transition metals. The doped sample exhibited an almost two-orders-of-magnitude rise in conductivity relative to the Bi2S3 sample in its pure form. Due to its superior conductivity, the Bi2S3+1 wt% MoCl5 sample achieved an excellent power factor of 550 μW m−1K−1 which is the maximum ever reported in the Bi2S3 system. Simultaneously, the ZT value of this sample approached 0.70 at 773 K, which is a six-fold improvement compared to the pristine sample. Density functional theory was applied to understand the electronic structure changes of the Mo-doped sample, which revealed that trace amounts of MoCl5 doping could significantly boost the density of states in the vicinity of the conduction band and shift the Fermi level to the valence band, leading to a reduction in the bandgap and an increase in free electrons. This work offers new insights into the role of Mo elements in thermoelectric materials and provides a good strategy for augmenting the thermoelectric figures of merit of other n-type thermoelectric materials with inadequate electrical conductivity in the future.

High thermoelectric performance of TlInSe3 with ultra-low lattice thermal conductivity

Thermoelectric (TE) materials with an excellent thermoelectric figure of merit (ZT) provide an effective way to alleviate energy pressure and protect the environment. By applying the first-principles method, this paper makes a systematic study of the electronic and phonon transport properties of two-dimensional (2D) novel TlInSe3 utilizing the Boltzmann transport theory (BTE). The calculation results reveal that 2D TlInSe3 has an excellent power factor (0.81 × 10−2 W/mK2) and ultra-low lattice thermal conductivity (0.46 W/mK) at 300 K. We find that the low phonon group velocity and strong anharmonicity are the main factors leading to the ultra-low lattice thermal conductivity of TlInSe3. Meanwhile, by discussing the acoustic-optical scattering, we attribute low phonon group velocity and strong anharmonicity to the increase of scattering rates between acoustic mode and optical mode, which further suppresses the lattice thermal conductivity. In the analysis of electron and phonon transport properties, 2D TlInSe3, as a novel TE material, exhibits a ZT value as high as 4.15 at 500 K. Our research results show that TlInSe3 is a potential TE material, and the relevant analysis is significant in exploring new TE materials.

High Power Factor of Ag2Se/Ag/Nylon Composite Films for Wearable Thermoelectric Devices.

A flexible thermoelectric device has been considered as a competitive candidate for powering wearable electronics. Here, we fabricated an n-type Ag2Se/Ag composite film on a flexible nylon substrate using vacuum-assisted filtration and a combination of cold and hot pressing. By optimising the Ag/Se ratio and the sequential addition and reaction time of AA, an excellent power factor of 2277.3 μW∙m-1 K-2 (corresponding to a ZT of ~0.71) at room temperature was achieved. In addition, the Ag2Se/Ag composite film exhibits remarkable flexibility, with only 4% loss and 10% loss in electrical conductivity after being bent around a rod of 4 mm radius for 1000 cycles and 2000 cycles, respectively. A seven-leg flexible thermoelectric device assembled with the optimised film demonstrates a voltage of 19 mV and a maximum power output of 3.48 μW (corresponding power density of 35.5 W m-2) at a temperature difference of 30 K. This study provides a potential path to design improved flexible TE devices.

A novel suppression method for input current distortion of the Vienna rectifier under unbalanced grid conditions

The Vienna rectifier is an excellent Power Factor Correction (PFC) AC–DC converter which has low Total Harmonic Distortion (THD) of input current, resistance to high-voltage, and high efficiency. Based on the structural characteristics of Vienna rectifier under the unbalanced grid conditions, considering the influence of grid voltage negative sequence component, the reference modulation wave of Vienna rectifier will lead or lag the input current, and the input current will be distorted which affects the power quality of Vienna rectifier. In this paper, a novel modulation waves clamping method by modifying the current command of the rectifier is proposed to eliminate the input current distortion under unbalanced grid conditions. By analyzing the distortion mechanism of the input current for a Vienna rectifier in unbalanced grid, the drawback of the conventional modulation waves clamping method for suppressing the input current distortion is illustrated, which shows that the method is ineffective in certain non-ideal grid conditions. Moreover, the proposed method modifies the current command, which realizes adjusting the clamping interval for modulation waves. So signs of the reference modulation wave and the input current are avoided to be inconsistent, and the input current distortion is suppressed. Besides, the quality of the input current is improved effectively. Finally, experimental results show that the proposed method can suppress the input current distortion obviously under the unbalanced grid conditions. Compared with conventional modulation wave clamping method, the THD value of the input current for a Vienna rectifier is reduced effectively (below 2%) with the proposed method.

Plastic/Ductile Bulk 2D van der Waals Single-Crystalline SnSe2 for Flexible Thermoelectrics.

The recently discovered ductile/plastic inorganic semiconductors pave a new avenue toward flexible thermoelectrics. However, the power factors of current ductile/plastic inorganic semiconductors are usually low (below 5 µW cm−1 K−2) as compared with classic brittle inorganic thermoelectric materials, which greatly limit the electrical output power for flexible thermoelectrics. Here, large plasticity and high power factor in bulk two‐dimensional van der Waals (2D vdW) single‐crystalline SnSe2 are reported. SnSe2 crystals exhibit large plastic strains at room temperature and they can be morphed into various shapes without cracking, which is well captured by the inherent large deformability factor. As a semiconductor, the electrical transport properties of SnSe2 can be readily tuned in a wide range by doping a tiny amount of halogen elements. A high power factor of 10.8 µW cm−1 K−2 at 375 K along the in‐plane direction is achieved in plastic single‐crystalline Br‐doped SnSe2, which is the highest value among the reported flexible inorganic and organic thermoelectric materials. Combining the good plasticity, excellent power factors, as well as low‐cost and nontoxic elements, bulk 2D vdW single‐crystalline SnSe2 shows great promise to achieve high power density for flexible thermoelectrics.

Honeycomb-like puckered PbTe monolayer: A promising n-type thermoelectric material with ultralow lattice thermal conductivity

Inspired by the superior thermoelectric performance of two-dimensional (2D) materials, the electrical transport and thermoelectric properties of honeycomb-like puckered PbTe monolayer were theoretically evaluated using the first-principles calculations and the semiclassical Boltzmann transport theory. The puckered PbTe monolayer is a direct gap semiconductor with wide bandgap of 2.251 eV within Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional in combination with spin-orbital coupling (SOC) effect. Further analysis of formation energy, elastic constant, and ab initio molecular dynamics (AIMD) simulation prove the thermodynamic, mechanical and thermal stabilities of PbTe monolayer. The low thermal transport, small phonon group velocity, large Grüneisen parameters, and short phonon relaxation time greatly suppress the phonon transport and lead to low lattice thermal conductivity of ∼0.75 and ∼0.79 W/m K along the armchair and zigzag directions at 900 K, respectively. An optimal ZT = ~1.55 at the carrier concentration of 3.94 × 10 12 cm −2 is obtained for PbTe monolayer along zigzag direction at 900 K, which demonstrates the great advantages of honeycomb-like puckered PbTe monolayer as promising n- type thermoelectric material. Our present results would not only provide fundamental understanding of thermoelectric transport in honeycomb-like puckered PbTe monolayer, but also shed some light on the theoretical design of low dimensional PbTe-layered nanomaterials in thermoelectric applications. The honeycomb-like puckered PbTe monolayer with ultralow lattice thermal conductivity was designed for n -type thermoelectric material with excellent energy conversion efficiency. • The PbTe monolayer is direct semiconductor with wide band gaps. • The honeycomb-like puckered PbTe monolayer is dynamically and mechanically, and thermally stable. • The PbTe monolayer has low thermal conductivity, especially along armchair direction. • The puckered PbTe monolayer possesses excellent electron transport properties and power factor. • The n -type PbTe monolayer exhibit good thermoelectric properties, which can be used as potential materials for thermoelectric applications.