Higher Power Factor Values Research Articles

First Principle Study of Electronic, Optoelectronic, and Thermoelectric Properties of Zintl Phase Alloys BaAg2X2 (X = S, Se, Te) for Renewable Energy

Novel Zintl phases exhibiting promising thermoelectric properties have garnered considerable traction, largely attributed to the accuracy of computational estimates. In the present investigation, the density functional theory-based WIEN2k code is employed to analyze the structural, optoelectronic, and transport behavior of the BaAg2X2 (X = S, Se, Te) Zintl phase. All these compositions belong to the stable trigonal phase with nominal expansion in the unit cell with the replacement of S with Se and Te. A negative value of enthalpy of formation of -2.30, -2.0, and -1.80 for BaAg2S2, BaAg2Se2, and BaAg2Te2, respectively, assures their thermodynamic stability. These compositions demonstrate dynamic stability, as evidenced by the nonexistence of negative (-ve) frequency values in their phonon spectra. Increasing the size of chalcogens enhances the spin-orbit coupling and reduces the bandgap value from 2.10 - 1.55 eV. The examination of optical response suggests that studied compositions display high absorption and low energy loss in the visible range, rendering them suitable for optoelectronic devices. The temperature-dependent transport behavior is computed using BoltzTrap code, and the RT value of power factor is recorded as 0.89 × 1011, 0.65 × 1011, and 0.54 × 1011 Wm− 1K− 2 for BaAg2X2 (X = S, Se, Te). A high power factor value at elevated temperatures indicates the promising efficacy of studied compositions in thermoelectric device applications.

Theoretical insight into physical characteristics of lead-free perovskites Rb2TlSbX6 (X = Cl, Br, I) for optoelectronic devices.

Novel optoelectronic and thermoelectric properties with broad compositional range, non-toxic nature and structural stability make halide-based double perovskites fascinating for flexible optoelectronic devices. In this work, the structural electronic, optical and transport properties of Rb2TlSbX6 (X = Cl, Br, I) were studied using density functional theory for optoelectronic devices. The elastic analysis demonstrates ductile nature, mechanical stability, anisotropic behaviour and feasibility for flexible optoelectronic devices. The band structure study using Tran-Blaha-modified Becke-Johnson (TB-mBJ) potential shows that all studied materials have direct bandgap. In addition, the bandgap of Rb2TlSbCl6 is more appropriate for optoelectronic devices. The small loss and maximum absorption in visible regions make these materials prime candidates for optoelectronic devices. The transport features indicate that all the studied double perovskites reflect p-type semiconducting behaviour as highlighted by positive Seebeck coefficient values. Furthermore, the high power factor values of Rb2TlSbX6 (X = Cl, Br, I) double perovskites make them suitable for thermoelectric device applications at high temperatures. Based on electronic optical and thermoelectric properties Rb2TlSbCl6 is the best candidate for flexible optoelectronic devices. In this paper, structural optimization of Rb2TlSbX6 (X = Cl, Br, I) double perovskites was conducted utilizing the Wien2k software based on first principle calculations with Perdew-Burke-Ernzerhof's generalized-gradient approximation (PBE-sol approximation). The TB-mBJ potential was employed to compute the accurate band gap of studied materials. The thermoelectric properties are evaluated with BoltzTraP code, showing a predominance of P-type charge carriers in all studied perovskites. This methodological strategy verifies the material's remarkable stability and optical properties and offers a solid framework for examining its potential in optoelectronic devices.

Ultrahigh average zT realized in polycrystalline SnSe0.95 materials through Sn stabilizing and carrier modulation

The average zT determines the conversion efficiency, and the power factor plays an important role in average zT value. However, the inadequate electrical conductivity of SnSe materials seriously limits its application. Herein, the TaCl5-doped in polycrystalline SnSe0.95 materials synthesized using the melting method and combined with spark plasma sintering technology achieves a zT value of 1.64 at 773 K and a record zTave of 0.62 from 323 K to 773 K. The electrical conductivity increases due to the released electron carrier induced by effective TaCl5 doping. According to the DFT calculation, the energy band of TaCl5-doped samples is narrowed, which can enhance the electron transport. Besides, the Seebeck coefficient is maintained at an elevated level as a result of the incorporation of the heavy element Ta. Due to the significantly enhanced electrical conductivity and maintained high Seebeck coefficient, the power factor reaches to 622 μW·m−1·K−2 at 773 K for the SnSe0.95 + 1.75% (in mass) TaCl5 sample, which is almost 21 times higher than that of the pristine sample. Simultaneously, a high average power factor value of 334 μW·m−1·K−2 for the SnSe0.95 + 1.75% (in mass) TaCl5 sample from 323 to 773 K was obtained. It is surprisingly found that the Ta element plays another important role to improve the stability of SnSe0.95 by forming Ta2Sn3 and removing the low melting point Sn, which usually existed in n-type SnSe samples, resulting in the decreased lattice thermal conductivity. A low lattice thermal conductivity value of 0.24 W·m−1·K−1 was also obtained for the SnSe0.95 + 2.0% (in mass) TaCl5 sample at 773 K due to the multiscale defects. Consequently, the SnSe0.95 + 2.0% (in mass) TaCl5 sample obtains a peak zT value of 1.64 at 773 K and a record zTave of 0.62 from 323 to 773 K, and the theoretically calculated conversion efficiency reaches 11.2%, it can be utilized for power generation and/or cooling at a broad temperature range. This strategy of introducing high-valence halides with heavy element can optimize the thermoelectric performance for other material systems.

Benchmark Investigation of SCC-DFTB against Standard and Hybrid DFT to Model Electronic Properties in Two-Dimensional MOFs for Thermoelectric Applications.

Recent studies have shown that metal-organic frameworks (MOFs) have potential as thermoelectric materials, and the topic has received increasing attention. The main motivation for this project is to further our knowledge of thermoelectric properties in MOFs and find which available self-consistent-charge density functional tight binding (SCC-DFTB) method can best predict (at least trends in) the electronic properties of MOFs at a lower computational cost than standard density functional theory (DFT). In this work, the electronic properties of monolayer, serrated, AA-stacked, and/or AB-stacked Zn3C6O6, Cd3C6O6, Zn-NH-MOF─for which no previous calculations of thermoelectric performance exist─and Ni3(HITP)2 MOFs are modeled with DFT-PBE, DFT-HSE06, GFN1-xTB, GFN2-xTB, and DFTB-3ob/mio. The band structures, density of states, and their relative orbital contributions, as well as the electrical conductivity, Seebeck coefficient, and power factor, are compared across methods and geometries. Our results suggest that GFN-xTB is adequate to predict the MOFs' band structure shape and density of states but not band gap. Our calculations further indicate that Zn3C6O6, Cd3C6O6, and Zn-NH-MOF have higher power factor values than Ni3(HITP)2, one of the highest performing synthesized MOFs, and are therefore promising for thermoelectric applications.

ANALISA KENAIKAN BEBAN LISTRIK SEKTOR RUMAH TANGGA TERHADAP BEBAN PUNCAK DI KOTA PALANGKA RAYA

Electricity is an essential need in the life of Palangka Raya City, and it can be utilized across various sectors such as business, social, industrial, governmental, and household. The increase in population growth in Palangka Raya City has led to a rise in the demand for electricity, necessitating its regulation and efficient distribution to customers. Specifically in the electricity sector, particularly in households, the demand tends to fluctuate due to resistive, inductive, and capacitive loads. This study aims to analyze the load factor, which is the ratio of average load to peak load measured over certain periods such as daily, monthly, or yearly. The first step involves data collection in the household sector of Palangka Raya City, including tariff data and monthly consumption data. The second step involves classifying electrical loads followed by an analysis of load factor accumulation. The third step involves summarizing the results of the accumulation data. From the analysis, it is concluded that the highest load factor values are found in the R.1/450 VA category, with an average of 49.30%, and the highest power factor value is 83.16% compared to other load factor categories. However, tariffs for R.3/6,600 VA and above show a gradual decrease in load factor from February to December.

Enhanced thermoelectric properties and thermal stability of Cu1.8S-rGO nanocomposite by low energy carrier filtering effect

Cu1.8S has received a lot of interest as a prospective thermoelectric material with the best performance and abundant resources. While high charge carrier concentration contributes to the high electrical conductivity and power factor values, grain-boundary engineering is required to improve the phonon scattering and thermal stability of Cu1.8S. We used a simple process that combined nanoparticles via mechanical alloying and post-annealing to introduce the reduced graphene oxide (rGO) heterointerface into the Cu1.8S matrix. A significant enhancement of power factor has been realized that the highest power factor is 721 μWm−1 K−2 at 550 K in the composite Cu1.8S/rGO with 10 % rGO, which is higher than the pure Cu1.8S. Furthermore, following four cycles of testing from ambient temperature to 550 K, the composite demonstrated excellent repeatability of power factor, confirming its practical application potential.

Enhancement in thermoelectric performance of hydrothermally synthesized Ca and Sb co-doped Bi2Te3 nanostructures

−Ca & Sb co-doped Bi2Te3 compounds have been prepared by hydrothermal method at 210 °C for 24 h and investigated their thermoelectric properties. Phase purity and crystallinity were analyzed by XRD. All the prepared samples have rhombohedral crystal structure with space group R-3m. The hexagonal nanoplate-like morphology was examined by FESEM. Elemental analysis was done with EDX. Band gap energy of prepared samples has values in the range of ∼0.40–0.65 eV, obtained by Tauc plot. The Raman shift was obtained at a lower frequency with doping. Carrier concentration increased with doping from 3.18 × 1020 cm−1 to 9.34 × 1020 cm−1. The high value of power factor (PF) of ∼10.8 × 10–4 Wm−1K−2 was obtained due to high carrier concentration. An ultralow lattice thermal conductivity of ∼0.28 and ∼0.63 W mK−1 at 420 K, was obtained for Ca0.06Bi1.88Sb0.06Te3 and pure Bi2Te3, respectively. A maximum ZT of ∼0.78 at 386 K was obtained for Ca0.03Bi1.94Sb0.03Te3. The value of ZT thus obtained is about ∼ 51% higher than the ZT of pure Bi2Te3 (∼0.39 at 386 K).

Enhanced average power factor and ZT value in PbSe thermoelectric material with dual interstitial doping

High PFave of 24.18 μW cm−1 K−2 and ZTave of 1.01 at 300–773 K have been achieved in n-type Pb1.02Se–0.2%Cu thermoelectric through dual Pb and Cu interstitial doping, and it exceeds other Se/S-based (Te free) n-type thermoelectric materials.

Effects of loosely bound electrons and electron–phonon interaction on the thermoelectric properties of electrenes

The interstitial charge in 2D HfI2 exhibits high mobility due to weak lattice perturbation, and the high mobility induces a high power factor and ZT value.

Y and La Doping in CaMnO3 Compounds: Effects of Dopant Identity and Amount on Charge Transport Kinetics

Enhancing electronic transport properties of thermoelectric oxides is of great technological importance. Oxides are promising candidates for waste heat harvesting at elevated temperatures as well as for electricity generation in low‐power applications. To this purpose, fundamental understanding of their electrical and thermal conduction mechanisms is essential. Herein, the conduction mechanism of CaMnO3 materials is focused on and how dopant identity and amount alter the kinetic properties of charge transport is investigated. Ca1−xRxMnO3 compounds with R = Y and La are synthesized, where 0 ≤ x ≤ 0.13, and the electrical conductivity and Seebeck coefficient for temperatures ranging from 300 to 1050 K, indicating that Y‐doped compounds are usually more conductive than their La‐doped counterparts, are measured. Analysis of both in terms of the small polaron hopping model reveals that Y doping reduces conduction activation energies, resulting in higher electrical conductivity and charge carrier mobility. Remarkably high values of thermoelectric power factor for the Ca0.97La0.03MnO3 compound, for example, 300 μWm−1 K−2 at 1050 K are observed; furthermore, these values are preserved for a wide temperature range, rendering this compound a good candidate for heat‐to‐electrical power generation at elevated temperatures.

Enhanced in-plane thermoelectric properties achieved through the vertical van der Waals stacking of black phosphorus and Ti2C

Vertical van der Waals heterostructures (vdWHs) exhibit considerable freedom in integrating two-dimensional layered materials for achieving excellent performance. In this study, we construct a double-layer Ti2C/BP vdWH by stacking pristine monolayer black phosphorus (BP) and Ti2C vertically. The in-plane thermoelectric properties of BP, Ti2C and Ti2C/BP vdWHs at different temperatures are investigated using density functional theory combined with the non-equilibrium Green's function method. Results showed that the thermoelectric figure of merit (ZT) of Ti2C/BP vdWHs at room temperature (300 K) was approximately 103 and 104 times that of Ti2C and BP, respectively. Because of the mutual compensation of the electronic energy bands and interfacial phonon scattering, Ti2C/BP vdWHs have higher electron conductance and lower phonon conductance than both BP and Ti2C, which significantly enhances the ZT value of these structures. More importantly, the prominent thermoelectric properties of Ti2C/BP vdWHs maintain greater stability as the temperature rises (300–900 K), which leads to a high thermoelectric power factor and ZT value without relying on high temperatures. These results provide a new idea for designing two-dimensional functionalised nanoscale devices with excellent thermoelectric performance.

Study of spin control on half metallic ferromagnetism and thermoelectric properties of MgEu2(S/Se)4 for spintronic and energy harvesting devices

Spintronic is the emerging technology for next generation electronic devices that can improve memory and computing capability by use of electrons spin degree of freedom. The electronic, magnetic, and transport properties of MgEu2(S/Se)4 spinels are explored systematically. These spinels are stable in ferromagnetic state (FM) confirmed by energy release in optimization, phonons band structures, and enthalpy of formation (ΔHf). The Curie temperature and spin polarization signify spin polarization at high temperature. The hybridization of p-S/Se and f-Eu states have been discussed from Band structure, and density of states which explain the nature of ferromagnetism. The crystal field and exchange energies are also reported for the verification of control of electrons spin. Furthermore, the exchange constants, and double exchange mechanism also premeditated. The double exchange model is satisfied by the negative Δx (pf) and constant Noβ. Moreover, the Seebeck coefficient, conductivities, and power factor (PF) for spin (↑) and spin (↓) are investigated separately and collectively by BoltzTraP code. The high values of PF and ultralow values of thermal conductivity make the potential materials for thermoelectric generators.

Coaxial structured Bi2S3–SnS2-MWCNT hybrid nanocomposite with its improved thermoelectric properties

Bismuth(III) sulfide (Bi2S3), tin(IV) sulfide (SnS2), and a multi-walled carbon nanotube (MWCNT) are prepared as a hybrid composites (Bi2S3–SnS2-MWCNT) using a simple hydrothermal method. The as-prepared hybrid composite exhibit n-type thermoelectric (TE) characteristics and an enhanced power factor (PF) value. Bi2S3–SnS2 composites are anchored to the surface of MWCNT and form a coaxial structure. The nanostructure formation through bonding between these different materials is confirmed via scanning transmission electron microscopy (STEM) and X-ray photoelectron spectroscopy (XPS). The TE properties of the Bi2S3–SnS2-MWCNT composite is improved by changing the Bi2S3, SnS2 and MWCNT content. The maximum PF (∼150.8 μ·W/m·K2) was obtained for Bi2S3–SnS2-MWCNT composite with Bi:Sn ratio of 7:3 and 2 wt% of CNT. The highest PF values were ∼34 and ∼58 times higher than the PF of Bi2S3 and SnS2 at room temperature. The synthesized Bi2S3–SnS2-MWCNT hybrid nanocomposite can provide important components for fabrication CNT-based TE composites with high conversion efficiency, further advancing TE device.

Electronic Transport Properties of Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub> Fabricated by Hot Extrusion

Herein we report the optimized processing conditions of hot extrusion for fabricating an <i>n</i>-type Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub> thermoelectric compound, with high electronic transport properties as well as improved mechanical reliability. We fabricated a Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub> extrudate that was 3.8 mm in diameter and 700 mm in length by controlling the processing parameters of temperature and pressure. A 3-point bending strength of over 70 MPa, which is 7 times higher that of the commercial zone melting ingot, was obtained in the samples prepared at 460 <sup>o</sup>C temperature under 6–6.5 MPa pressure. The samples benefitted from the formation of a highly-dense microstructure (relative density > 98%). It is noted that the electronic transport properties (electrical conductivity and Seebeck coefficient) could be manipulated by controlling the applied pressure of hot extrusion at 460 <sup>o</sup>C, mainly due to the change in the characteristics of the 00<i>l</i> crystal orientation, which originated from grain rotation and rearrangement. Power factor values of ~2.9 mW/mK<sup>2</sup> at 300 K and ~2.95 mW/mK<sup>2</sup> at 320 K, similar to those of sintered bulks, were obtained in the hot extrudate fabricated under processing parameters of 460 <sup>o</sup>C and 6 MPa. Moreover, a high power factor value of 2.25 mW/mK<sup>2</sup> was observed even at the high temperature of 480 K, which is 70% higher than that of Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub> bulk fabricated by hot pressing.

Precursor-Led Grain Boundary Engineering for Superior Thermoelectric Performance in Niobium Strontium Titanate.

We present a novel method to significantly enhance the thermoelectric performance of ceramics in the model system SrTi0.85Nb0.15O3 through the use of the precursor ammonium tetrathiomolybdate (0.5-2% w/w additions). After sintering the precursor-infused green body at 1700 K for 24 h in 5% H2/Ar, single-crystal-like electron transport behavior developed with electrical conductivity reaching ∼3000 S/cm at ∼300 K, almost a magnitude higher than that in the control sample. During processing, the precursor transformed into MoS2, then into MoOx, and finally into Mo particles. This limited grain growth promoted secondary phase generation but importantly helped to reduce the grain boundary barriers. Samples prepared with additions of the precursor exhibited vastly increased electrical conductivity, without significant impact on Seebeck coefficients giving rise to high power factor values of 1760 μW/mK2 at ∼300 K and a maximum thermoelectric figure-of-merit zT of 0.24 at 823 K. This processing strategy provides a simple method to achieve high charge mobility in polycrystalline titanate and related materials and with the potential to create "phonon-glass-electron-crystal" oxide thermoelectric materials.

Bi2Te3 nanowires tuning PEDOT:PSS structure for significant enhancing electrical transport property

We developed Bi2Te3 nanowires (NWs)/poly (3,4-ethylene dioxythiophene) polystyrene sulfonate (PEDOT:PSS) with a high power factor (PF) value of 170 μW·m−1·K−2 by a simple pulling method, which is an 85-fold improvement over PEDOT:PSS. The XRD, FTIR, UV–vis-NIR, XPS, FESEM, and NanoMap co-confirm the significant increase in electrical transport performance mainly attribute to two vital factors. First, the π bond of PEDOT:PSS interacts with the van der Waals force between the Te atom layer of Bi2Te3 NWs in the composite film, which makes PEDOT:PSS change from benzene type structure to quinone type structure with high conductivity. Second, the energy filtering effect generated by the interfacial barrier between Bi2Te3 NWs and PEDOT:PSS promotes the increase of seebeck coefficient.

Enhanced Thermoelectric Performance of CoSb3 Thin Films by Ag and Ti Co-Doping.

The Skutterudites CoSb3 material has been the focus of research for the conversion applications of waste heat to electricity due to its ability to accommodate a large variety of ions in the cages that have been proven effective in improving the thermoelectric performance. Although the co-doped CoSb3 bulk materials have attracted increasing attention and have been widely studied, co-doped CoSb3 thin films have been rarely reported. In this work, Ag and Ti were co-doped into CoSb3 thin films via a facile in situ growth method, and the influence of doping content in the thermoelectric properties was investigated. The results show that all the Ag and Ti co-doped CoSb3 thin films contain a pure well-crystallized CoSb3 phase. Compared to the un-doped thin film, the co-doped samples show simultaneous increase in the Seebeck coefficient and the electrical conductivity, leading to a distinctly enhanced power factor. The high power factor value can reach ~0.31 mWm-1K-2 at 623 K after appropriate co-doping, which is two times the value of the un-doped thin film we have been obtained. All the results show that the co-doping is efficient in optimizing the performance of the CoSb3 thin films; the key point is to control the doping element content so as to obtain high thermoelectric properties.

Theoretical insights into the structural, optoelectronic, thermoelectric, and thermodynamic behavior of novel quaternary LiZrCoX (X = Ge, Sn) compounds based on first-principles study.

The structural, magnetic, electronic, elastic, vibrational, optical, thermodynamic as well as thermoelectric properties of newly predicted quaternary LiZrCoX (X = Ge, Sn) Heusler compounds are evaluated intricately with the aid of ab initio techniques developed under the framework of density functional theory. The computed structural properties are found to be in tandem with the existing analogous theoretical and experimental facts. Structural optimization has been carried out in three different structural arrangements, i.e., Type-1, Type-2, and Type-3. Further analysis of the optimization curves reveals that the Type-3 phase, which has the least amount of energy, is the most stable structure for the compounds under consideration. The tabulated cohesive energy and formation energy of these compounds depict their chemical as well as thermodynamic stability. The absence of negative phonon frequencies in the phonon band spectrum of the studied compounds depicts their dynamic stability. Similarly, the tabulated second-order elastic constants (Cij) and the linked elastic moduli show their stability in the cubic phase. The calculated value of Pugh's ratio and Cauchy pressure reveal that LiZrCoGe is brittle whereas LiZrCoSn is ductile. Additionally, the optical characteristics of the compounds are studied in terms of the dielectric function, refractive index, extinction coefficient, absorption coefficient, reflectivity, energy loss function, and optical conductivity. The obtained high value of power factor and figure of merit of the studied lithium-based quaternary compounds predict good thermoelectric behavior in these compounds. Thus, LiZrCoX (X = Ge, Sn) compounds can therefore be used to create innovative and intriguing thermoelectric materials as well as optoelectronic and energy-harvesting equipment.

Effect of MWCNTs surface functionalization group nature on the thermoelectric power factor of PPy/MWCNTs nanocomposites

This work aims to put forward the role of multiwalled carbon nanotubes (MWCNTs) surface functionalization on the enhancement of thermoelectric (TE) power factor of new nanocomposite-based polypyrrole/surface modified multiwalled carbon nanotubes (PPy/MWCNTs), prepared by a facile in-situ oxidative polymerization process. In fact, MWCNTs’ content was fixed to ∼11 wt%, and their surfaces were respectively modified with different functional groups (benzoic acid (-D1), benzene tricarboxylic acid (-D3), -O, -COOH, -NH2 and -SH). After running all the required, spectral, structural, morphological, and thermoelectrical characterizations, it is revealed that the nanocomposites-based functionalized MWCNTs remarkably increase the Seebeck coefficient, and thus enhancing the material’s power factor. This improvement of TE power factor was attributed to the coating homogeneity and the good interaction between PPy and MWCNTs mainly through π–π stacking between the polymer chains and the nanotubes as well as electrostatic, hydrogen bonding, and electrons donor/acceptor groups interactions due to the functional groups grafted on the nanotube’s sidewall. The highest power factor value (0.51 μWm−1K−2) was obtained with PPy/MWCNTs-SH, which means an enhancement of 8 folds compared to pure PPy. Considering the content of MWCNTs and the ease of preparation process, these results might help to develop future TE materials and devices.

DFT based comparative study of physical properties of Y3AlC3, YAl3C3 and Y3AlC carbides

Present work encompasses the comprehensive study of structural, electronic, optical, mechanical and thermoelectric properties of Y3AlC3, YAl3C3 and Y3AlC carbides using DFT based FP-LAPW method. Structural analysis demonstrated that Y3AlC3, YAl3C3 and Y3AlC carbides belong to orthorhombic, hexagonal and cubic crystal system respectively. The computed optimized parameters are in good agreement with already reported results. Electronic properties calculations unveil Y3AlC3 and Y3AlC to be metallic and YAl3C3 as semi-conducting with an indirect band gap (Eg ​= ​0.1 ​eV). The existence of eminent dip in the density of states of Y3AlC reveals the pseudo gap near Fermi level. The studied carbides accomplished the mechanical stability criteria. The strong directional covalent bonding has been observed in YAl3C3, making it comparatively harder and stiffer than Y3AlC3 and Y3AlC carbides. The calculated Pugh and Poisson's ratios signpost the brittle nature of studied compounds. Optical properties reveal optically anisotropic behavior of Y3AlC3 and YAl3C3 while Y3AlC carbide found to be optically isotropic. Significant thermoelectric parameters i.e., Seebeck coefficient, Hall coefficient, electrical conductivity, thermal conductivity, power factor and figure of merit have been calculated. Thermoelectric outcomes disclosed that both YAl3C3 and Y3AlC carbides have larger Seebeck coefficient and electrical conductivity than Y3AlC3 that leads to high value of power factor and figure of merit. Thus, YAl3C3 and Y3AlC carbides may be the candidates for efficient thermoelectric materials.