Sb Doping Research Articles

Enhancing the thermoelectric performance of GeTe through Sb doping and nanocompositing with SiC for reduced thermal conductivity

A combined strategy of aliovalent doping and compositing engineering was conducted in GeTe to minimize the thermal conductivity for boosting thermoelectric properties, with a zTmax of 1.82 achieved for Ge0.92Sb0.08Te + 0.2 wt% SiC at 800 K.

Carrier mobility in doped Sb<sub>2</sub>Se<sub>3</sub> based on deformation potential theory

Antimony selenide (Sb<sub>2</sub>Se<sub>3</sub>) is an element-rich, cost-effective, and non-toxic material used as an absorber layer in solar cells. The performance of solar cells is significantly influenced by the transport characteristics of charge carriers. However, these characteristics in Sb<sub>2</sub>Se<sub>3</sub> have not been well understood. In this work, through density functional theory and deformation potential theory, we investigate the hole transport properties of pure Sb<sub>2</sub>Se<sub>3</sub> and As-, Bi-doped Sb<sub>2</sub>Se<sub>3</sub>. The incorporation of as element and Bi element does not introduce additional impurity levels within the band gap. However, the band gaps are reduced in both As-Sb<sub>2</sub>Se3 and Bi-Sb<sub>2</sub>Se<sub>3</sub> due to the band shifts of energy levels. This phenomenon is primarily attributed to the interactions between the unoccupied 4p and 6p states of the doping atoms and the unoccupied 4p states of Se atoms, as well as the unoccupied 5p states of Sb atoms. In this study, we calculate and analyze three key parameters affecting mobility: effective mass, deformation potential, and elastic constants. The results indicate that effective mass has the greatest influence on mobility, with Bi-Sb<sub>2</sub>Se<sub>3</sub> exhibiting the highest average mobility. The average effective mass is highest in As-Sb<sub>2</sub>Se<sub>3</sub> and lowest in Bi-Sb<sub>2</sub>Se<sub>3</sub>. The elastic constants of the As- and Bi-doped Sb<sub>2</sub>Se<sub>3</sub> structures show minimal differences compared with that of the intrinsic Sb<sub>2</sub>Se<sub>3</sub> structure. By comparing the intrinsic, As-doped, and Bi-doped Sb<sub>2</sub>Se<sub>3</sub>, it is evident that doping has a minor influence on deformation potential energy along various directions. The study reveals that the hole mobility in Sb<sub>2</sub>Se<sub>3</sub> displays significant anisotropy, with higher mobilities observed in the <i>x</i>-direction and the <i>y</i>-direction than in the <i>z</i>-direction. This discrepancy is attributed to stronger covalent bonding primarily in the <i>x</i>- and <i>y</i>-direction, while in the <i>z</i>-direction weaker van der Waals forces is dominant. The directions with enhanced charge carrier transport capability contribute to efficient transfer and collection of photo-generated charge carriers. Therefore, our research theoretically underscores the significance of controlling the growth of antimony selenide along specific directions.

Reasonably designed CuSbTiOx series catalysts with high NH3-SCR activity and obviously improved SO2 tolerance

The mechanism for NOx reduction in CuSbTiOx-0.2 catalyst.

Defect-level trap optimization in Cu2ZnSn(S,Se)4 photovoltaic materials via Sb3+-doping for over 13% efficiency solar cells

Defect-level trap optimization via Sb3+-doping Cu2ZnSn(S,Se)4 enables over 13% efficient thin film solar cell.

Effective regulation of Li2MnO3-like single-component in high-nickel Li-rich layered oxides by trace Sb doping for remarkable performance improvement

The exact roles of LiNiO2-like R—3m and Li2MnO3-like C2/m components in performance of Li-rich layered oxides (LLOs) still remain elusive which is precluded predominantly by simultaneous modifications of or doping of alien elements into two components normally. Herein, we propose a strategy of employing trace Sb to regulate the Li2MnO3-like C2/m single component (SCR) only to effectively stabilize the structure of High-nickel Li-rich layered oxides based on the far lower doping potential of Sb into the Li2MnO3-like C2/m phase than that into the LiNiO2-like phase. The SCR realized using a facile expanded graphite template-sacrificed approach significantly improves the lattice oxygen reversibility and restrains structural degradation via lowering the unhybridized O 2p orbitals. This enables an extraordinarily steady voltage with a decay rate of 0.87 mV per cycle, a capacity retention as high as ∼85.5% after 300 cycles at 1 C and thus a steady energy density against cycling. This work opens a new avenue for regulating the individual C2/m or R—3m phases to enhance the performance of LLOs via alien element doping and provides the possibility of exploring the mechanisms of single component influencing the performance.

Improving Reliability of Fan -Out Wafer Level Package Through Doping of Lead-Free Solder Balls

Embedded wafer level ball grid array (eWLB) or FO-WLP (Fan-out wafer-level packaging) is investigated as a package for MMICs (Monolithic Microwave Integrated Circuit) for automotive radar applications in the 77GHz range. Doping of Bi and/or Sb was applied to improve the resistance of lead-free SAC balls against thermal cycling stress. We have shown that by increasing the doping level the lifetime can be increased and determined the maximum doping level before extrinsic failure modes dominate. It is well-known from the literature that doping of Bi and/or Sb improves the resistance of lead-free SAC balls against thermal cycling stress. It was shown that lifetime of FC-BGA package can be multiplied using Bi and/or Sb doping. The lifetime gain is achieved by reduced creepage of the hardened balls caused by the doping. This reduced creepage increases the risk of causing other failures than ball cracks in the eWLB package or the PCB during thermal cycling stress. We have tested robustness of 7x8,5 mm^2 eWLB packages against thermal cycling stress T = -40 to 125 °C using SAC-balls with different Bi-doping content from 0% to 2,5% Bi concentration. As could be expected the solder ball fatigue mode is delayed more and more increasing the Bi content. We found other failure modes than solder ball fatigue emerging at doping around 1%. The fatigue modes are shifted towards cupper lines on PCB or into the package. Cu line cracks can be overcome by switching the PCB layout from NSMD (non solder-mask defined) to SMD (solder-mask defined) solder pads. In general there is a lifetime penalty when switching from NSMD to SMD, but by avoiding the Cu line cracks this lifetime loss is overcompensated using SMD pads for optimum performance. As input for simulations we have characterized the doped solder material using specimens produced in glass columns. We have also tested the components on PCBs with different top layer laminate with different CTE and elastic modulus to assess the influence of the PCB properties on the lifetime. It is a trend in automotive radar systems to use stiffer laminates which are cheaper but have negative influence on component lifetime. Solder ball shear tests were also carried out to characterize the influence of ball doping on other board-level reliability beyond thermal cycling performance. As expected ball shear force is increased with increased doping level. At increased shear-force the shearing is still done through the solder ball and does not lead to different shear-mode. Finally drop-tests were done to check influence of doping on board-level reliability performance other than thermal-cycling performance.

Simultaneous removal NO and toluene over the Sb enhanced MnOx catalysts

xSb-Mn (Sb enhanced MnOx) catalysts with different Sb contents were synthesized by co-precipitation method for the simultaneous removal of NO and toluene. Among them, 5 %Sb-Mn catalyst showed superior NO and toluene conversions, and the NO conversion could reach 90 % in 200–350 °C, toluene conversion could reach 100 % in 200–400 °C. The effects of Sb on MnOx catalyst were explored by XRD, N2 adsorption–desorption, SEM, XPS, which suggested that the appropriate Sb doping could improve the surface area of catalyst and increase the dispersity of active component on catalyst. Moreover, Sb could enhance the surface acidity, redox ability, and chemically adsorbed oxygen content over catalyst, enhancing the catalytic performance. Meanwhile, the Sb significantly improved the SO2 and H2O durability of catalyst, which duo to Sb species inhibiting the oxidation of SO2 by Mn, enhancing the SO2 durability of catalyst. Moreover, the reaction mechanism of 5 %Sb-Mn for simultaneous removal of NO and toluene was analyzed by in-situ DRIFTS. Furthermore, the effect of NH3-SCR process on toluene oxidation was investigated. Those results showed that MnOx and 5 %Sb-Mn catalysts follow the E-R mechanism. Besides, NH3 would react with active oxygen species before toluene, which inhibit further oxidation of toluene intermediates. Notably, the Sb species contributed to reducing the restrain of NH3 on toluene oxidation process.

High-Throughput Deposition of Recyclable SnO2 Electrodes toward Efficient Perovskite Solar Cells.

Chemical bath deposited (CBD) SnO2 is one of the most prevailing electron transport layers for realizing high-efficiency perovskite solar cells (PSCs) so far. However, the state-of-the-art CBD SnO2 process is time-consuming, contradictory to its prospect in industrialization. Herein, a simplified yet efficient method is developed for the fast deposition of SnO2 electrodes by incorporating a concentrated Sn source stabilized by the ethanol ligand with antimony (Sb) doping. The higher concentration of Sn source promotes the deposition rate, and Sb doping improves the hole-blocking capability of the CBD SnO2 layer so that its target thickness can be reduced to further save the deposition time. As a result, the deposition time can be appreciably reduced from 3-4h to only 5min while maintaining 95% of the maximum efficiency, indicating the power of the method toward high-throughput production of efficient PSCs. Additionally, the CBD SnO2 substrates are recyclable after removing the upper layers of complete PSCs, and the refurbished PSCs can maintain ≈98% of their initial efficiency after three recycling-and-fabrication processes.

Improving the open circuit voltage of MAPbI2Br by Sb doping for achieving high efficient solar cells

The films of antimony-doped methylammonium lead iodide bromide (Sb-MAPbI2Br) have been deposited on FTO-glass substrates. XRD analysis reveals that doping has increased grain size and has no effect on the cubic crystal structure of MAPbI2Br. Sb-doping reduced the band gap energy (2.04 eV) and increased the refractive index (2.61). Additionally, according to the EIS result of the comparable cell, device with 4 % Sb doping has a lower recombination rate than pure MAPbI2Br-based solar cells. The cell fabricated with Sb doping showed a high open-circuit voltage (1.001 V), a sizable short-circuit current density (9.61 mA/cm2), fill factor (0.79), and a high efficiency (7.7 %). The strong open-circuit voltage seen here supports the possibility of stacked MAPbI2Br for the creation of highly effective solar cells.

Sb Doping and Amorphization Co-Induced High Capacity and Excellent Durability of Tin Sulfide-Based Anode for K-Ion Batteries.

The carbon nanotubes (CNTs) supported amorphous Sb doped substoichiometric tin dulfide (Sb─SnSx ) with a carbon coating (the C/Sb─SnSx @CNTs-500) is reported to be an efficient anode material for K+ storage. The formation of the C/Sb─SnSx @CNTs-500 is simply achieved through the thermally induced desulfurization of tin sulfide via a controlled annealing of the C/Sb─SnS2 @CNTs at 500°C. When used for the K+ storage, it can deliver stable reversible capacities of 406.5, 305.7, and 238.4mAhg-1 at 0.1, 1.0, and 2.0Ag-1 , respectively, and shows no capacity drops when potassiated/depotassiated at 1.0 and 2.0Ag-1 for >3000 and 2400 cycles, respectively. Even at 10, 20, and 30Ag-1 , it can still deliver stable reversible capacities of 138.5, 85.1, and 73.8mAhg-1 , respectively. The unique structure, which combines the advantageous features of carbon integration/coating, metal doping, and desulfurization-induced amorphous structure, is the main origin of the high performance of the C/Sb─SnSx @CNTs-500. Specifically, the carbon integration/coating can increase the electric conductivity and stability of the C/Sb─SnSx @CNTs-500. The density function theorycalculation indicates that the Sb doping and the desulfurization can facilitate the potassiation and increase the electric conductivity of Sb─SnSx . Additionally, the desulfurization can increase the K+ diffusivity in Sb─SnSx .

Antimony-Triggered Tunable White Light Emission in Lead-Free Zero-Dimensional Indium Halide with Ultrastable CCT of White Light Emitting Diodes.

A highly efficient and easily tunable luminescence is significant for solid-state luminescent (SSL) materials. However, achieving a photoluminescence quantum yield (PLQY) close to unity and tuning the emission remain challenging tasks. Metal doping strategies enable resolution of these issues. Herein, we report the preparation of a novel organic-inorganic lead-free indium-based metal halide hybrid (MP)3InCl6•EtOH (MP = C4H10ON) with a typical zero-dimension structure. When excited at 320 nm, (MP)3InCl6•EtOH exhibits a dual emission band at 420 and 600 nm, which originates from the organic cation [MP] and the [InCl6]3- octahedral unit. The photoluminescence can be significantly enhanced through Sb3+ doping, resulting in an increase in PLQY from 0.78% to near unity. Multiple emission color tunings have been achieved by regulating the Sb doping level and the radiation wavelength, resulting in a change in emission color from blue → white → orange. Optical characterizations reveal that the significantly enhanced emission centered at 600 nm can be attributed to more efficient absorption, closely associated with an additional 1S0 → 3P1 transition in the inorganic octahedron [In(Sb)Cl6]3- due to Sb3+ doping. With its excellent optical performance, a white light emitting diode (WLED) has been successfully fabricated by coating the mixture of (MP)3InCl6•EtOH:15%Sb3+ with blue phosphor BaMgAl10O17:Eu2+ onto a UV LED chip. The WLED device exhibits perfect white light emission with regard to the International Commission on Illumination (CIE) coordinates of (0.36, 0.34). Significantly, the WLED device maintains a stable correlated color temperature (CCT) range of 4119-4393 K and CIE coordinates (x: 0.37-0.34, y: 0.35-0.33) as the driven current varies from 20 to 200 mA, demonstrating outstanding stability across different power levels. This work not only presents a novel system for achieving remarkably enhanced luminescent performance and tuning emission bands in 0D metal halides but also represents a significant step toward achieving resistance to color drifting for stable WLEDs.

Thermoelectric Transport Properties of Sb-doped SnSe<sub>2</sub> Polycrystalline Alloys

SnSe<sub>2</sub> alloys have been investigated in recent times as potential <i>n</i>-type thermoelectric materials. In this study, the thermoelectric transport properties of a series of Sb-doped SnSe<sub>2</sub>, Sn(Se<sub>1-x</sub>Sb<sub>x</sub>)<sub>2</sub> (<i>x</i> = 0, 0.015, 0.03, 0.045, 0.06) alloys are investigated. The electrical conductivity was generally enhanced with Sb doping owing to a large increase in electron concentration. However, the Seebeck coefficient largely decreased with doping. Consequently, the power factor was significantly lower at a low doping of <i>x</i> = 0.015, and then began rising as the doping was increased beyond <i>x</i> = 0.015. It was found that the density-of-states effective mass and weighted mobility decreased with Sb doping, implying that the electrical transport properties of SnSe<sub>2</sub> were degraded by Sb doping. The total and lattice thermal conductivities gradually decreased due to additional point defect scattering. Thus, the thermoelectric figure of merit declined significantly, from 0.30 of the pristine sample with a low doping of Sb (<i>x</i> = 0.015) at 750 K, to 0.18, and then for <i>x</i> = 0.06 it gradually recovered to the value of the undoped sample. The thermoelectric quality factor decreased as the Sb doping was increased, implying that Sb doping did not enhance the thermoelectric transport properties, despite the large increase in electron concentration.

Effect of Vacancy, As, and Sb Dopants on the Gold-Capturing Ability of Cu2S during Gold Collection in Matte Processes.

The technique of gold collection in matte can effectively improve the trapping efficiency of precious metals such as gold, silver, and platinum. However, the underlying mechanism of gold collection from high-temperature molten matte is complex and not well understood. In this work, the first-principle calculations were utilized to investigate the adsorption behavior of gold atoms on a Cu2S surface. The effects of vacancies and As and Sb doping on the gold-trapping ability of Cu2S were also explored, and the electronic properties of each adsorption system, including the charge density difference, density of states, and charge transfer, were systematically analyzed. The results show that the Cu-terminated Cu2S(111) surface has the lowest surface energy, and the Au atom is chemically adsorbed on the Cu2S(111) with an adsorption energy of -1.99 eV. The large adsorption strength is primarily ascribed to the strong hybridizations between Au-5d and Cu-3d orbitals. Additionally, the Cu vacancy can significantly weaken the adsorption strength of Cu2S(111) towards Au atoms, while the S vacancy can notably enhance it. Moreover, due to the formation of strong covalent As-Au/Sb-Au bonds, doping As and Sb into Cu2S(111) can enhance the gold-trapping capability of Cu2S, and the Sb doping exhibits superior effectiveness. Our studied results can provide theoretical guidance for improving the gold collection efficiency of Cu2S.

DFT insights into the effects of substitutionally doped Sb defects in CuIn(S,Se)2 solar cell absorber

Abstract Metal chalcogenide-based semiconductors are gaining attention for optoelectronic applications like thin-film photovoltaics (PV). Sb dopant incorporation in CuIn(S,Se)2 (CISSe) solar cell has been proven to significantly enhance PV performance, as demonstrated in our previous experimental work. However, the underlying mechanisms behind this improvement remained unclear. In this study, we report on the influence of substitutionally doped Sb defect on the structural, formation energy, band structure, and optical absorption properties in CISSe, employing the hybrid HSE06 functional within the density functional theory framework. We find that the Sb prefers to substitute at In site, resulting in the most stable Sb-doped CISSe structure. Under cation-poor growth conditions, Sb prefers to substitute on In sites, while under anion-poor growth conditions, it shows a preference for substituting on Se sites. Interestingly, only SbIn defects do not form impurity states in the band gap. Additionally, SbIn, SbS, and SbSe show a reduction in the band gap. Our results reveal that Sb-doped CISSe exhibits enhanced optical absorption in the IR to visible regions, leading to increased photocurrent generation and improved photovoltaic device efficiency, consistent with our experimental findings. These findings provide valuable theoretical insights into the influence of Sb-doping in CISSe, aiding the design of effective metal chalcogenide PV.

Investigation on Sb-doped SnO2 as an efficient sensor for the detection of formaldehyde

The applicability of antimony-doped tin dioxide (Sb-doped SnO2) as a very precise sensor for detecting formaldehyde (HCHO) gas is investigated in this study. The sol-gel method was used to prepare pure SnO2 and Sb-doped SnO2 nanostructures, which resulted in better structural and morphological properties. The prepared samples were analyzed using several characterization techniques, including X-ray diffractometer (XRD), field emission scanning electron microscopy (FE-SEM), Fourier-transform infrared spectroscopy (FTIR), UV-Vis spectroscopy and X-ray photoelectron spectroscopy (XPS). A structural investigation indicated the presence of a tetragonal SnO2 phase with a clear preference for the (110) orientation. Furthermore, the crystallite size reduced as the quantity of Sb doping rose. According to FE-SEM analysis, both the undoped (SnO2) and Sb-doped SnO2 samples had polyhedral structures. FTIR analysis verified the presence of organic functional groups in the prepared powder samples. The optical band gap (Eg) values decreased with an increasing concentration of Sb doping in the SnO2 nanostructures. XPS was used to determine the chemical elements of the prepared powder samples. In the gas sensing study, those based on 8 wt% Sb-doped SnO2 (referred to as ATO-8) outperformed the others. At room temperature, the ATO-8 sample demonstrated stronger sensor response, faster response and recovery durations (98 s/74 s), and linear behavior. These enhancements can be attributable to an increase in adsorbed oxygen species caused by Sb doping, highlighting ATO-8's potential as a substance for detecting HCHO. This study emphasizes the potential of ATO-8 as a significant resource for practical use in the detection of HCHO, with benefits such as improved indoor air quality, increased industrial safety, and advancements in environmental monitoring.

Optimizing Thermoelectric Performance of Tellurium via Doping with Antimony and Selenium.

Forming solid solutions is one of the most effective strategies to suppress the thermal conductivity of thermoelectric materials. However, the accompanying increase in impurity ion scattering usually results in an undesirable loss in hall mobility, negatively impacting the electrical transport properties. In this work, a tellurium-selenium (Te-Se) solid solution with trace antimony (Sb) doping was synthesized via the high pressure and high temperature method. It was found that slight Se doping into the Te sites not only had no impact on the hall mobility and carrier concentration, but also enhanced the density-of-state effective mass of Sb0.003Te0.997, leading to an enhanced power factor near room temperature. Additionally, the presence of Se doping caused a significant reduction in the phonon thermal conductivity of Te due to fluctuations in the mass and strain field. The lowest phonon thermal conductivity was as low as ~0.42 Wm-1K-1 at 600 K for Sb0.003Se0.025Te0.972, which approached the theoretical minimum value of Te (~0.28 Wm-1K-1). The effects of Se doping suppressed thermal conductivity, while Sb doping enhanced the power factor, resulting in a larger ZT of ~0.94 at 600 K. Moreover, these findings demonstrate that Sb and Se doping can effectively modulate the electrical and thermal transport properties of Te in a synergistic manner, leading to a significant increase in the average ZT across a wide temperature range.

Improved thermoelectric properties of Sb-doped Ti0.5Zr0.5NiSn alloy with refined structure induced by rapid synthesis processes

Thanks to the great advantage of preparation methods, the thermoelectric (TE) alloy materials can be fast synthesized with controllable structural morphology for optimizing charge and phonon transport properties, thereby improving the TE efficiency of the material. Herein, a series of Sb-doped Ti0.5Zr0.5NiSn1−xSbx based half-Heusler alloy was prepared via a combined fast procedure of arc melting (AC), melt spinning (MS) followed by spark plasma sintering (SPS). The detailed analyses of morphology, phase structure, and composition reveal high-quality samples through processes for enhanced TE properties. High ZT values over one are achieved for all samples with slight Sb doping content variation from x = 0.0025–0.02. The enhanced TE performance of the Sb-doped Ti0.5Zr0.5NiSn1−xSbx alloys here results from the synergistic between the approaches such as doping, alloying, nanostructuring, and the presence of nano-precipitates induced by MS. The highest ZT values of ∼1.2 at 847 K with an average ZT of 0.798 and estimated TE conversion efficiency reached 12.8% in the temperature range from 300 K to 847 K were achieved for the 1.25% Sb doped sample. In addition, the thermal cycling test through continuous measurement of five and a half cycles confirmed the high thermal stability of the bulk alloy. High ZT and thermal stability based on Hf-free Ti0.5Zr0.5NiSn1−xSbx alloy and fast synthesis are well matched for commercial requirements.

A highly efficient Sb-doped La0.5Sr0.5FeO3-δ cathode for protonic ceramic fuel cells

The La0.5Sr0.5FeO3-δ (LSF) material is modified with Sb doping to improve the performance of conventional LSF cathode for protonic ceramic fuel cells (PCFCs). The Sb cations can be inserted into the LSF lattice to develop a new composition La0.5Sr0.5Fe0.9Sb0.1O3-δ (LSFSb), which reduces the formation energy of oxygen vacancies and lowers the proton migration energy of the Sb-doped material when compared to the Sb-free LSF. Additional experimental findings reveal that Sb doping enhances the proton/oxygen transport and surface exchange kinetics. The fuel cell with the LSFSb cathode has a substantially higher peak power density of 933 mW cm−2 at 700 °C than the LSF cell, which only reaches 606 mW cm−2 under the same testing conditions. Using the LSFSb composite cathode further improved the fuel-cell performance, resulting in a promising fuel cell performance of 1388 mW cm−2, which is high for LSF-based PCFCs, thus demonstrating that LSFSb is a suitable cathode for PCFCs.

Effect of Sb Doping on Structure and Humidity Sensing Properties of SnO2 Synthesized by Hydrothermal Method

AbstractThe tetragonal rutile Sb doped Sn O2 (0, 0.5, 1 at.%) is successfully synthesized by hydrothermal method. The XRD analysis shows that the average crystallite size of SnO2 decreases from 29.59 to 20.53 nm with the increase of the doping concentration. SEM images depict the spherical grain morphology of the SnO2 sample. With the increase of the doping ratio, the optical bandgap value of the SnO2 samples increases from 3.6 to 3.86 eV and then decreases to 3.47 eV, showing a trend of first increasing and then decreasing. XPS results indicate that oxygen vacancy defects and substitutional defects(SbSn)are formed into the SnO2 lattice, which changes the electronic effect of Sn element to tune the oxygen vacancy concentration. The humidity‐sensitive testing data shows that 1 at.% Sb‐doped SnO2 humidity sensor presented excellent sensitivity and linearity at a working frequency of 100 Hz as compared to the pure SnO2 sample.

Enhanced thermoelectric performance of Cu2SnS3 materials via (Cu/Mn/Sb) triple substitution

Ternary Cu2SnS3 (CTS) has lately received a lot of attention as a very promising thermoelectric material contender due to its cost-effectiveness and eco-friendliness. However, its inadequate electrical power factor restricts its widespread application in thermoelectric devices. In the present work, a strategy to maximize power factor by triply substituting Cu, Mn, and Sb at the Sn site was examined. A phase change from cubic to tetragonal structure and a rise in effective masses that boost the power factor are brought about by the insertion of Sb doping in the triply substituting CTS. Cu2.1Sb0.12Sn0.78S3 sample achieves a significant power factor value of 12.3 μW cm−1 K−2. Additionally, the thermal conductivity is successfully suppressed by the Cu/Mn substituting to a low value of 0.32 W m−1 K−1 at 708 K. Therefore, the Cu2.1Mn0.04Sb0.08Sn0.78S3 sample achieves a maximum ZT of 0.61 at 743 K. This research offers an effective strategy for enhancing thermoelectric performance in CTS-based materials through synergistic doping.