Pb Doping Research Articles

Valence Band Modification and Enhanced Phonon‐Phonon Interactions for High Thermoelectric Performance in GeTe

AbstractThe strong coupling between carrier and phonon transport in thermoelectric (TE) materials severely limits improvements to the figure of merit (ZT). In this work, an approach is proposed to weaken electron‐phonon coupling, effectively enhancing the TE performance of GeTe. Alloying with Zn4Sb3 reduces excessive carrier concentration (nH), widens the bandgap, and promotes band convergence, synergistically improving charge carrier transport and ensuring a high power factor. Additional Pb doping further optimizes nH, boosting the power factor even more. Moreover, phonon transport is suppressed through Pb doping, as reflected in enhanced acoustic‐optical interactions due to the crossing of optical and acoustic modes, and a reduction in sound group velocity. This reinforced strong phonon scattering, combined with multi‐scale hierarchical nano/microstructures in the matrix, significantly reduces lattice thermal conductivity. As a result, a high ZT of 2.1 is achieved at 753 K in Ge0.9Pb0.1Te+0.9%Zn4Sb3. Alongside optimized mechanical performance, a high power density of 1.46 W cm−2 is realized at a temperature difference of 350 K in the fabricated 7‐pair TE module. The findings demonstrate the effectiveness of a stepwise optimization strategy for developing high‐performance TE materials.

Investigation on p-type conversion of n-type Cu0.008Bi2Te2.4Se0.6 thermoelectric alloys by slight Pb doping

Investigation on p-type conversion of n-type Cu0.008Bi2Te2.4Se0.6 thermoelectric alloys by slight Pb doping

Enhanced Thermoelectric Performance of Bi0.5Sb1.5Te3 through Precise Pb Doping: Analysis Using the Single Parabolic Band Model

This study investigates the thermoelectric properties of Pb-doped p-type Bi0.5Sb1.5Te3 alloys using the Single Parabolic Band (SPB) model, focusing on optimizing room-temperature performance. We systematically analyze the effects of Pb doping (0, 0.49, 0.65, 0.81, 0.97, and 1.3 at%) on key parameters including density-of-states effective mass (md *), non-degenerate mobility (μ0), weighted mobility (μw), and the thermoelectric quality factor (B-factor) at 323 K. The results reveal that md * reaches a maximum of 1.37 me at 0.97 at% Pb doping, representing a 22.25 % increase over the pristine sample. The highest μ0 of 234.5 cm2 V-1 s-1 is achieved at 0.65 at% Pb, highlighting the complex relationship between doping and carrier mobility. Notably, 0.97 at% Pb doping optimizes thermoelectric performance, yielding the highest μw, power factor, and B-factor. This composition also minimizes lattice thermal conductivity (k1) by 44.93 % compared to the undoped sample, significantly reducing phonon heat conduction. The Callaway-von Baeyer model corroborates these findings, indicating maximized point defect scattering at 0.97 at% Pb. A theoretical peak figure-of-merit (zT) of 1.74 is thus predicted at this doping level, demonstrating a possible substantial enhancement in thermoelectric efficiency upon appropriate carrier concentration tuning. The observed trends in Seebeck coefficient, Hall carrier concentration, and Hall mobility with increasing Pb content provide insights into the underlying mechanisms of performance enhancement. This comprehensive study highlights the critical role of precise Pb doping in optimizing the thermoelectric properties of Bi0.5Sb1.5Te3 alloys for room-temperature applications and establishes a framework for future investigations into similar material systems.

Boosting supercapacitive performance of SnS2 via trace Pb doping

High-performance electrode materials are crucial for enhancing the performance of supercapacitors. Among various candidates, pseudo-capacitive SnS2 is a promising one due to its high specific capacitance, earth-abundance, nontoxicity as well as low-cost. However, its actual electrochemical performance is restricted owing to the poor intrinsic conductivity and current fabrication processes on improving the conductivity are usually complicated. In this study, based on first-principles calculations, Pb doping is introduced to enhance the conductivity of SnS2. Pb-doped SnS2 nanosheets are synthesized via a simple one-step hydrothermal method. With trace Pb doping (Pbo.o1SnS2), an impressive 4-order-of-magnitude increase in conductivity was achieved compared to pristine SnS2. Furthermore, Pb-doped SnS2 nanosheets exhibit a superior mass-specific capacitance of 533.7 F g−1 at 50 mV s−1 and excellent long-term capacitance retention of 90.2 % over 100,000 cycles at 5 A g−1. This study presents a simple and effective approach to enhancing the supercapacitor performance of SnS2 and advances the practical applications of electrochemical energy storage devices based on 2D materials.

Investigating the effect of Pb doping on the structural, electronic, magnetic, and optical properties of wurtzite CdS

This study focuses on comprehensively investigating the crystal structure, electronic, magnetic and optical properties of pure and Pb-doped CdS at different concentrations using first-principles methods with the GGA-PBE+U approximation. Our calculations successfully reproduce the experimentally observed optimized lattice parameters and band gap values for both pure and Pb-doped CdS systems. Band structure results show a large and significant reduction in the band gap of Pb-doped CdS at low concentrations, followed by a steady increase at high Pb concentrations. The electron density distribution show the covalent nature between Cd-S and Pb-S. The optical properties of pur and Pb-doped CdS show: a significant increase in absorption and in reflectivity in the visible and ultraviolet domains with doping. Finally, a reduction in optical transmission in the visible energy domain. These optical analyzes provide essential information on the behavior of these materials, thus broadening its practical applications, notably in the design of optoelectronic devices.

Study on the Structure, Morphology, Dielectric, and Piezoelectric Properties of Large-Grain (Ba0.85Sr0.15)1-x Pb x TiO3 Ceramic System for 0.02 ≤ x ≤ 0.08.

Barium strontium lead titanate ((Ba0.85Sr0.15)1-x Pb x TiO3), along with various compositions (x(mol %) = 0, 2, 4, and 8), was synthesized through the conventional sol-gel reaction method. Following this, the resultant powders underwent a carefully controlled calcination process at 1000 °C for a period of 4 h. The examination of the crystalline phase of the calcined ceramics was conducted at room temperature using X-ray diffraction. Rietveld refinement of the XRD data, performed using FullProf, revealed that the samples exhibited a tetragonal structure within the space group P4mm. The impact of Pb doping on the lattice structure of BaSr1-x TiO3 was explored by analyzing the charge density distribution. The FTIR analysis unveiled a distinct absorptive band within the 450-600 cm-1 range, indicative of the stretching and bending vibrations associated with TiO6 octahedra. Notably, sintering the material at 1150 °C for 4 h resulted in improved densification, as observed in scanning electron microscopy images showcasing a nearly uniform distribution of densely packed grains. Through the utilization of Williamson-Hall plots derived from XRD data, the average particle diameter was estimated to fall within the range of 131.87-141 nm, with an associated uncertainty ranging from 5 to 10%. Additionally, the dielectric characteristics unveiled the presence of a negative dielectric constant (εr) spanning the frequency range from 1 kHz to 2 MHz. The (Ba0.85Sr0.15)1-x Pb x TiO3 ceramic displayed a widespread occurrence of negative permittivity, emphasizing the influence of dielectric resonance. The investigation revealed that the sintered ceramic with the formula (Ba0.85Sr0.15)1-x Pb x TiO3 exhibited exceptional piezoelectric properties, achieving the highest piezoelectric constant (d33 = 137 pC/N) and electromechanical coupling factor (k p = 0.49).

Altering the physical properties of NiO thin films grown through the ultrasonic spray pyrolysis method by incorporating impurity lead dopants

The technology of p-type transparent semiconductors is utilized in various fields, and enhancing their performance holds industrial significance. Thus, improving the versatility and efficiency of the p-type transparent conducting oxides (TCO) has become critical for the semiconductor industries and technologies. To be used as hole carrier layes in optoelectronic devices, this study aimed to modify the physical features of nickel oxide (NiO) through a doping approach which may broaden and strengthen the usage of NiO. A cost-effective ultrasonic pyrolysis spray technique was employed for pure and lead (Pb) doped nickel oxide thin film production. The influence of the lead concentration on optical, structural, and morphological traits of the NiO nanostructures was examined via various analyses, including energy-dispersive X-ray spectroscopy (EDAX), scanning electron microscopy (SEM), Photoluminescence, UV–visible spectroscopy, X-Ray Diffraction, and Raman spectroscopy, were utilized to investigate the optical and structural characteristics of these films. In correlation, the X-Ray Diffraction results indicated that the Pb doping induced strain and altered lattice parameters of the grown nanostructures while the cubic phase of NiO maintained. The crystallite size of NiO samples ranged from 31.49 nm to 18.75 nm based on Pb doping concentration which was notably influenced by species and doping content. The UV–vis measurements demonstrated that optical parameters, such as optical band gap, were sensitive to Pb doping ratios. The Raman spectrum analysis confirmed the successful incorporation of Pb ions into NiO. Additionally, the intensity of the PL spectra decreased with increasing Pb content, offering potential applications as window layers in solar cells, smart windows, and other optoelectronic devices.

Enhanced thermoelectric performance of BiCuSO by Pb doping and Se alloying

Enhanced thermoelectric performance of BiCuSO by Pb doping and Se alloying

Advancement in embedding Pb quantum dots into a Porous-Si matrix for superior X-ray radiation detection: An extended gate approach

This study reports on the synthesis of porous silicon (PS) and porous silicon doped with lead (PS–Pb) using an electrochemical method with a primary focus on optimizing key synthesis parameters to enhance material properties. During the synthesis, hydrofluoric acid (HF) and ethanol ratios were maintained at 4:1, which was crucial in achieving the desired structural properties. A structural analysis of the synthesized nanocomposites was conducted using Field Emission Scanning Electron Microscopy-Energy Dispersive X-ray Spectroscopy (FESEM-EDX). This structural analysis validated the successful incorporation of lead (Pb) into the samples. Among the key aspects of this study were the evaluation of the I–V characteristics of the PS-Pb nanocomposites. Based on the findings of I–V measurements, an increase in the bias voltage was observed, which was directly correlated with an increase in measured current, indicating significant changes in electrical properties as a result of Pb doping. Furthermore, the responses of these materials to X-ray pulse irradiation under various conditions were successfully measured and compared, enhancing the understanding of their potential as radiation detectors. The optimal electrochemical conditions for synthesizing PS and Pd-PS were identified as 90 V, 100 mA, 1 s, and 100 V, 100 mA, 0.5 s, respectively. As a result of optimizing electrochemical synthesis parameters, lead-doped porous silicon (Pb-PS) exhibited a marked reduction in pore size, decreasing from an average of 420.88 nm in undoped PS to 244.54 nm in Pb-PS. This structural refinement correlated with improved electrical properties; I–V measurements demonstrated that the current response at a bias voltage of 0.3 V improved from 1.6×10−5 A to 6.23×10−4 An under identical conditions. Furthermore, these materials responded to X-ray radiation and showed enhanced sensitivity, with Pb-PS detectors achieving a lower response time and higher current under X-ray exposure compared to undoped PS. These findings open up new avenues for employing these nanocomposites in advanced applications, particularly in fields that require precise and efficient radiation detection, such as medical imaging and environmental monitoring. This work represents a significant contribution to the field, illustrating the potential of these custom-engineered materials for the advancement of modern healthcare and detection technologies.

The competition between charge density wave and superconductivity in the kagome metal CsV3(Sb1-xPbx)5 single crystals

Kagome metal AV3Sb5 (A = K, Rb, Cs) has garnered considerable attention for its abundant exotic quantum phenomena and the special competitive relationship between charge density wave (CDW) and superconductivity (SC). In this work we explore the unconventional coupling between charge density wave and superconductivity by means of the substitutional doping of Pb atoms with Sb atoms. Microscopic characterization and performance tests provide valuable phase diagram information for CsV3(Sb1-xPbx)5. Upon Pb doping, a pronounced competition between the charge density wave transition temperature TCDW and the superconducting temperature Tc was observed. Analysis of changes in Debye temperature ΘD and lattice constant, it is shown that Pb doping affects atomic bonding and may strengthen the coupling between adjacent kagome layers to some extent. Furthermore, the small angular shift of the diffraction peak and increased full width at half maximum (FWHM) indicate that the doping causes crystal defects and distorts the crystal structure, which will change the charge density in the local area and may affect the superconductivity. This result further reveals a close correlation between the superconductivity of the system and the electronic structure of the kagome plane in the CsV3Sb5 system. Overall, our results suggest that the observed competition arises from the complex interplay of multiple factors.

Thermoelectric performance enhancement of Pb-doped α -MgAgSb near room temperature

α-MgAgSb is taken as the p-type leg material for recently focused Mg-based thermoelectric devices because of the high thermoelectric performance near room temperature. However, the thermoelectric performance of α-MgAgSb is inhibited by the existence of the Ag-rich second phase. The ordinary methods like carrier concentration optimization and minimizing lattice thermal conductivity were nearly invalid because of the extremely low doping level for heteroatoms and intrinsically low lattice thermal conductivity. The crystal structure of α-MgAgSb can be viewed as Ag atom filled in half distorted hexahedron in the distorted rock salt skeleton formed by the Mg–Sb sublattice. In this work, by replacing the smaller Mg in the sublattice with Pb, the volume of the distorted hexahedron is effectively expanded to accommodate Ag atoms and then lead to the re-dissolution of Ag-rich second phase in the matrix. In addition, as Ag is the main source of low-frequency phonons, the enhanced lattice anharmonicity by Pb doping leads to stronger scattering of phonons in the distorted hexahedron and results in 20% reduction of lattice thermal conductivity in the temperature range of 300–500 K. Finally, the figure of merit zT is enhanced by ∼40% in the whole temperature range, demonstrating that lattice management is a promising method for the optimization of α-MgAgSb materials.

Effects of Pb and carbonate substitutions on the superconducting properties of TlSr4Cu2OzCrO4

We have investigated the effects of Pb and carbonate substitutions on the phase formation and the superconducting properties of the intergrowth superconductor TlSr4Cu2OzCrO4. X-ray diffraction data showed that nearly single-phase samples with tetragonal structure were obtained in the compositions (Tl1-xPbx)Sr4Cu2OzCrO4 (0 ≤ x ≤ 0.5) and (Tl0.5Pb0.5)Sr4Cu2Oz(CrO4)1-y(CO3)y (0 ≤ y ≤ 1.0). Resistivity measurements indicated that the transition temperature decreased significantly as the Pb doping content x increased to x = 0.5. In contrast to the Pb doping effects, the carbonate substitution in the (Tl0.5Pb0.5)Sr4Cu2Oz(CrO4)1-y(CO3)y system resulted in an improvement of the superconducting transition temperature up to y = 0.9. The y = 1.0 sample showed a reduced transition temperature, compared to the x = 0.9 sample. The experimental results are discussed in conjunction with the change in hole carrier concentration due to the Pb and carbonate substitutions, based on the data from room temperature thermoelectric power measurements.

Synergism effect of Pb doping and microstructure optimization on the superconducting properties of Bi-2212 ceramics

Synergism effect of Pb doping and microstructure optimization on the superconducting properties of Bi-2212 ceramics

Effect of metal doping on the laser induced damage of KDP crystals: A first-principles study

KH2PO4 (KDP) crystal is a kind of widely used nonlinear optical material, but its manufacturing process produces various defects which influence the laser induced damage threshold (LIDT) of the KDP crystal. This work studies the influence of the metal doping defects (Na, Cr, Co, Ni, Zn and Pb) on the stability, electronic structure, optical and mechanical properties of KDP crystal by the density functional theory (DFT) calculation. Results show that the change of lattice parameters and bond lengths, and the formation energies of the metal doped KDP have close relationship with the radius of the doped metal atoms. The electronic and optical calculations show that the Na doping defects have little effect on the energy band and optical properties of KDP crystals, but Cr, Zn and Pb doping defects show large optical absorption peaks. Meanwhile, the Cr, Co, Ni and Pb atoms have great influence on the mechanical properties of the KDP. Therefore, the KDP synthesis process needs to pay particular attention to control Cr and Pb doping defects to avoid decreasing the LIDT of KDP. This work explains the effect of metal doping on the laser damage resistance of KDP crystals and provides a theoretical basis for enhancing the performance of KDP crystals.

A new insight into vacancy modulation in lead-doped tungsten oxide nonarchitect for photoelectrochemical water splitting: An experimental and density functional theory approach

In this study, the impact of lead (Pb) doping on the photoelectrochemical (PEC) water splitting performance of tungsten oxide (WO3) photoanodes was investigated through a combination of experimental and theoretical approaches. Pb-doped WO3 nanostructured thin films were synthesized hydrothermally, and extensive characterizations were conducted to study their morphologies, band edge, optical and photoelectrochemical properties. Pb-doped WO3 exhibited efficient carrier density and charge separations by reducing the charge transfer resistance. The 0.96 at% Pb doping shows a record photocurrent of ∼ 1.49 mAcm−2 and ∼ 3.44 mAcm−2 (with the hole scavenger) at 1.23 V vs. RHE besides yielding a high charge separation and Faradaic efficiencies of ∼ 86 % and > 90 %, respectively. A shift in the Fermi level towards the conduction band was also observed upon the Pb doping. Additionally, density functional theory (DFT) simulations demonstrated the changes in the density of states and bandgap upon Pb doping, exhibiting favorable changes in the surface and bulk properties of WO3.

Metal co-doped cesium manganese chlorine nanocrystals with high efficiency and tunable red emission

Metal co-doped cesium manganese halide nanocrystals are synthesized to enhance the red emission depending on the transitional role of Tm3+ ions, and realize tunable red emission from 660 nm to 628 nm by controlling the Pb doping contents.

Band Engineering Through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.

Developing cost-effective and high-performance thermoelectric (TE) materials to assemble efficient TE devices presents a multitude of challenges and opportunities. Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant elements. However, the challenge lies in its poor electrical conductivity. Herein, an efficient and scalable solution-based approach is developed to synthesize high-quality Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement and annealing treatments, the dried powders are consolidated into dense pellets, and their TE properties are investigated. Pb doping effectively increases the charge carrier concentration, resulting in a significant increase in electrical conductivity, while the Seebeck coefficients remain consistently high. The calculated band structure shows that Pb doping induces band convergence, thereby increasing the effective mass. Furthermore, the large ionic radius of Pb2+ results in the generation of additional point and plane defects and interphases, dramatically enhancing phonon scattering, which significantly decreases the lattice thermal conductivity at high temperatures. Overall, a maximum figure of merit (zTmax) ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based materials produced by solid-state, demonstrating advantages of versatility and cost-effectiveness using a solution-based technology.

Enhanced thermoelectric performance in cubic SnSe-based alloys via manipulation of grain boundary scattering and phonon transport

Owing to the strong anharmonicity and large band degeneracy number, the metastable cubic SnSe exhibits promising thermoelectic (TE) performances theoretically and attracts extense attentions. Experimentally, ABX2 compounds alloying can effectively stabilize the cubic structure. However, newly emerging shortcomings like low carrier mobilitys and tiny band gaps hinder further optimizations of their TE properties. In this work, the carrier transport mechanism on the typical cubic Sn0.5-xPbx(AgSb)0.25Se sample is innovatively investigated, revealing that the pristine grain boundary scattering near room temperature changes to a mixed scattering of acoustic phonons and alloys due to the grain growth. Combined with the reduced effective mass by Pb doping, a significant improvement is realized in the mobility, leading to an increased power factor PF (∼7 W cm−1K−2) and a relatively high PFave (5.6 W cm−1K−2). What’s more, Pb doping also makes a big contribution in the reduction of thermal transports: on the one hand, enhancing the high-frequancy phonons scattering via strong mass fluctuation and stress flied fluctuation; on the other hand, enlarging the band gap by enhanced spin–orbit coupling effect, suppressing the bipolar diffusion at elevated temperatures. Resultantly, a small lattice and bipolar contributed thermal conductivity (κl + κbi) of 0.58 W m−1K−1 is obtained near 850 K in Sn0.38Pb0.12(AgSb)0.25Se sample, only 59 % of the pristine Sn0.5 (AgSb)0.25Se sample. Finally, an improved TE figure of merit zT value of 0.8 and a zTave value of 0.47 are obtained.

Effect of Pb doping on the structural, optical and electrical properties of sol–gel ZnO nanoparticles

Pure and Pb-doped ZnO NPs were synthesized using the sol–gel method. The structural and morphological properties were investigated via XRD, FTIR and FE-SEM. A detailed study of the effect of Pb on the properties of ZnO NPs ascertained many interesting results. XRD analysis showed that doped and undoped samples have hexagonal wurtzite structures and the average grain size increases from 21.2 to 27.8 nm with doping. Morphological analysis of undoped and Pb-doped ZnO NPs indicated that they are composed of quasi-spherical particles. Optical and electrical characteristics were also evaluated by UV–Vis spectroscopy and electrical measurements. These studies revealed that the Pb doping resulted in a blue shift of the absorption edge and thus increasing the gap band, from 3.39 to 3.53, and the electrical resistance. Based on these characteristics, the possible use of the sol–gel synthesized Pb–ZnO for conductometric gas sensing, was also discussed.

Enhanced conductivity and weakened magnetism in Pb-doped Sr2IrO4

Group IV element Pb has been selected as the dopant to dope at the Sr site of Sr2IrO4. It is exciting to find that the single-phase crystal structure could be maintained with a high Pb doping level of up to x = 0.3 in Sr2−x Pb x IrO4. The mapping data obtained from energy-dispersive x-ray spectroscopy analyses give solid evidence that the Pb ions are uniformly distributed in the Sr2IrO4 matrix. The incorporation of Pb leads to a moderate depression of the canted antiferromagnetic ordering state. The electrical conductivity could be greatly enhanced when the Pb doping content is higher than x = 0.2. The present results give a fresh material base to explore new physics in doped Sr2IrO4 systems.