Journal of Electronic Materials最新文献

{"title":"Numerical Simulation of a New Architectural Design of CIGS Thin Film Solar Cell with Zinc Stannate Buffer Layer Using SCAPS-1D","authors":"Rasika N. Mohottige,&nbsp;E. G. D. K. Chandrarathne,&nbsp;K. A. S. Lakshan,&nbsp;Sandanuwan P. Kalawila Vithanage,&nbsp;Steven Maier,&nbsp;Jennifer Sattler","doi":"10.1007/s11664-026-12760-x","DOIUrl":"10.1007/s11664-026-12760-x","url":null,"abstract":"<div><p>Cadmium sulfide (CdS) has long been used as the conventional buffer layer in copper indium gallium selenide (CIGS) thin-film solar cells, however, its inherent toxicity and significant optical absorption losses in the short-wavelength region create critical challenges for sustainable photovoltaic development, prompting extensive research to overcome these limitations. In this study, we introduce zinc stannate (Zn₂SnO₄) as an environmentally friendly, high-efficiency buffer layer to replace CdS in CIGS thin-film solar cells as a practically viable device through comprehensive numerical simulation using SCAPS-1D software. We demonstrate that ZTO-buffered CIGS devices achieve remarkable power conversion efficiencies (PCE) exceeding 30% at an optimized bandgap of 1.4 eV. Compared to CdS (~2.4 eV), ZTO possesses a wider bandgap (~3.6 eV) that enables enhanced short-wavelength photon transmission, while its favorable conduction band alignment suppresses parasitic absorption and interface recombination losses. Notably, ZTO buffer layer exhibit excellent performance across thickness variations of 20-100 nm, providing a wide operational window that simplifies manufacturing processes and reduces production costs. Furthermore, the integration of highly conductive molybdenum (Mo) back contacts optimizes device performance by suppressing series resistance losses and enhancing fill factor (FF%). Our findings establish zinc stannate as a cadmium-free, cost-effective solution that not only matches but surpasses conventional CdS performance, paving the way for next-generation sustainable CIGS photovoltaic technology with improved efficiency and reduced environmental impact.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4253 - 4261"},"PeriodicalIF":2.5,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reducing Trap States to Boost Efficiency in Ternary Organic Solar Cells: The Role of the Third Material","authors":"A. Vázquez,&nbsp;J. C. Carrillo-Sendejas,&nbsp;S. García-Carvajal,&nbsp;M. Rodríguez,&nbsp;J.-L. Maldonado,&nbsp;Ricardo Orozco-Cruz,&nbsp;J. Martínez-Castillo,&nbsp;J. Hernández-Torres,&nbsp;L. García-González,&nbsp;J. C. Nolasco-Montaño","doi":"10.1007/s11664-026-12787-0","DOIUrl":"10.1007/s11664-026-12787-0","url":null,"abstract":"<div><p>The density of trap states at the donor–acceptor interface increases charge recombination, limiting the efficiency of organic solar cells (OSCs). Ternary organic solar cells (TOSCs) overcome this issue by incorporating a third material to modify the interfacial energetics. Prior studies have predominantly focused on complex organic semiconductors as third materials to mitigate interface recombination. In contrast, boron-based compounds have emerged as promising materials owing to their structural versatility, tunable optoelectronic properties, and simple fabrication. In this work, we introduce an easily synthesized boron-based small molecule as a practical third component in a PTB7-Th:PC₇₁BM bulk heterojunction system. Trap density-of-states revealed that including the boron compound in the TOSCs suppresses the density of deep interface trap states, while maintaining bulk trap densities. Consequently, this interface-defect passivation enhances the solar cell’s fill factor. Numerical simulations of the recombination rate corroborated the reduced charge-carrier recombination losses.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4262 - 4270"},"PeriodicalIF":2.5,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Graphene Band Engineering for Spintronics Applications","authors":"Akansha Thakur,&nbsp;Niladri Sarkar","doi":"10.1007/s11664-026-12750-z","DOIUrl":"10.1007/s11664-026-12750-z","url":null,"abstract":"<div><p>We study the electronic properties of monolayer and bilayer graphene in the presence of spin–orbit coupling and a staggered potential to investigate the tunability of the energy band spectrum. Detailed analyses are carried out for monolayer graphene with Rashba spin–orbit coupling (RSOC). By introducing RSOC in small increments, we observe the lifting of spin degeneracy in the energy bands. As the RSOC strength increases, we observe a direct consequence of spin-momentum locking, which is attributed to the breaking of inversion symmetry. Further, the band structure is modified when a staggered potential is applied in the presence of RSOC. The combined effect of RSOC and the staggered potential enhances spin splitting and spin polarization. We also investigate the deformation of the Fermi surface by mapping it using contour plots for finite strength of RSOC. Furthermore, we examine the energy band spectrum of bilayer graphene in the presence of RSOC and a staggered potential, focusing on its behavior in the vicinity of the Dirac points. These studies are helpful for the fabrication and modeling of graphene-based channels for spintronic devices.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4570 - 4579"},"PeriodicalIF":2.5,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Plasticity Simulations of Subgrain Formation in Sn-based Solders During Thermal Cycling","authors":"Kai-chieh Chiang,&nbsp;Marisol Koslowski","doi":"10.1007/s11664-026-12756-7","DOIUrl":"10.1007/s11664-026-12756-7","url":null,"abstract":"<div><p>Tin-based solder joints are widely used to provide high-density interconnection in microelectronic packaging. Experiments show that under repetitive temperature cycling, subgrains may nucleate in the tin phase, contributing to early degradation. We present numerical simulations on a board-level packaging stack-up during cool-down and under thermal cycling. A crystal plasticity model and thermomechanical anisotropy are utilized to study the deformation of the solder joints. With this model, we can quantify the contributions to the deformation from the joint location versus the result of thermoelastic anisotropy during thermal cycling.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4580 - 4589"},"PeriodicalIF":2.5,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11664-026-12756-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Synthesis of V2O5 Supported on 1D-MWCNT Nanocomposites Enhancing Electrochemical Energy Storage Performance of Asymmetric Supercapacitor","authors":"M. Sasikumar,&nbsp;S. Seenivasan,&nbsp;V. Sathiya,&nbsp;S. Mahalakshmi","doi":"10.1007/s11664-026-12767-4","DOIUrl":"10.1007/s11664-026-12767-4","url":null,"abstract":"<div><p>High-performance supercapacitor electrodes were developed by integrating vanadium pentoxide (V₂O₅) with multi-walled carbon nanotubes (MWCNTs) to achieve a synergistic balance between high conductivity and enhanced energy storage capability. The incorporation of MWCNTs effectively improved the electrical pathways, while V₂O₅ provided abundant redox-active sites, resulting in superior charge storage behavior. V₂O₅/MWCNT nanocomposites were synthesized via a facile hydrothermal route and comprehensively characterized using x-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) analyses to confirm their crystalline structure, surface morphology, and compositional integrity. Electrochemical evaluation through cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), and electrochemical impedance spectroscopy (EIS) in 3 M KOH electrolyte revealed remarkable capacitive characteristics and stability. The optimized electrode exhibited high specific capacitance of 89.654 F g⁻¹ at 0.1 A g⁻¹, retaining 91.56% of its initial value after 2000 charge−discharge cycles. When configured as an asymmetric supercapacitor (ASC), the device achieved specific capacitance of 81.635 F g⁻¹ at 0.1 A g⁻¹ and maintained 87.33% retention at 0.1 A g⁻¹, demonstrating excellent durability. Moreover, the ASC delivered impressive energy density of 7.241 Wh kg⁻¹ and high-power density of 4550 W kg⁻¹. These findings highlight the potential of the V₂O₅/MWCNT nanocomposite as an efficient and durable electrode material for next-generation high-power energy storage systems.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4237 - 4252"},"PeriodicalIF":2.5,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636945","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Graphite Composite Ink-Modified Knitted Fabric for Fabricating Highly Sensitive, Robust, and Breathable Wearable Monitoring Sensors","authors":"Meng Dong,&nbsp;Jun Cai,&nbsp;Ruokai Wu,&nbsp;Juan Hao,&nbsp;Kaihong Wu,&nbsp;Hui Dong","doi":"10.1007/s11664-026-12768-3","DOIUrl":"10.1007/s11664-026-12768-3","url":null,"abstract":"<div><p>Flexible, high-sensitivity, breathable strain sensors have great potential for application in wearable electronics. Existing wearable sensors are usually assembled with polymer encapsulation layers on thin-film substrates. The discomfort caused by low permeability and mechanical mismatch restricts people’s enthusiasm for selection. In this work, high-adhesion conductive graphite–carbon black composite inks were prepared using modified epoxy as the binding agent. Durable, breathable, and wearable strain sensors were successfully fabricated by dip-padding knitted fabrics with the conductive composite ink. The developed graphite composite sensor exhibits a broad tension sensing range (up to 20%) with high sensitivity (gauge factor up to 64), a wide pressure sensing range (0–50 kPa), fast response/recovery times (60 ms/70 ms) under pressure strain, and good air permeability and mechanical durability. Additionally, this wearable sensor can effectively detect subtle-scale pulse signals and large-scale human movements, showcasing promising applications in practical wearable electronics for continuous and reliable human behavior monitoring.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4359 - 4372"},"PeriodicalIF":2.5,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Computational Study of the Role of Switching the Transition Metal Cation in Novel RhAO3 (A = Hf and Ti) Perovskites for Thermoelectric Applications","authors":"Abrar Nazir,&nbsp;Ejaz Ahmad Khera,&nbsp;Sattam Al Otaibi,&nbsp;Khaled Althubeiti,&nbsp;Mukhlisa Soliyea,&nbsp;Minhaj Ali","doi":"10.1007/s11664-026-12783-4","DOIUrl":"10.1007/s11664-026-12783-4","url":null,"abstract":"<div><p>Perovskites are new materials for solar cells and thermoelectric power generators because of their exceptional performance, high stability, green credentials, and lack of lead. In order to investigate the potential of these new Pb-free ternary perovskites for use in green energy applications, we provide density functional theory computations for RhAO₃ (A = Hf and Ti). The octahedral and tolerance factor (τ_G) indicates the structural stability of the materials in their cubic crystalline form, while their negative formation energy confirms their thermodynamic stability. The compound RhHfO₃ has an indirect bandgap of 1.28 eV as determined by the Tran–Blaha modified Becke–Johnson (TB-mBJ potential. In contrast, the compound RhTiO₃, which has a bandgap of 0.84 eV, displays characteristics of a direct-bandgap semiconductor. The optical absorption results show that RhHfO₃ absorbs electromagnetic radiation in the range of 66–1.48 µm and that RhTiO₃ perovskites absorb radiation in the range of 62–1.72 µm. These absorption coefficient values are in the infrared–ultraviolet (IR–UV) range, indicating that these composites are potential candidates for solar cells and optoelectronic devices. Furthermore, the Seebeck coefficient, electrical conductivity, and thermal conductivity were all analyzed to clarify the thermoelectric efficiency. These materials are favorable for thermoelectric devices due to their considerable Seebeck coefficient (<i>S</i>), higher electrical conductivity, power factor, and figure of merit (<i>ZT</i>), which enhance their thermoelectric performance. In investigating the characteristics of Pb-free RhAO₃ (A = Hf and Ti) ternary perovskites, our results offer comprehensive insight. By confirming their stability, appropriate bandgaps, and outstanding thermoelectric properties, this study demonstrates their potential for use in solar cells and thermoelectric generators as environmentally friendly and renewable energy sources.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4539 - 4552"},"PeriodicalIF":2.5,"publicationDate":"2026-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636964","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Matrix-Coupled LED–CdS Photoresistor Arrays: Fabrication, Optical–Electronic Coupling Modelling, and Wide-Range Programmable Resistance Characteristics","authors":"Tanushree Saha,&nbsp;Sneha Ray,&nbsp;Rohit Biswas,&nbsp;Soutik Mondal,&nbsp;Sourav Sarkar,&nbsp;Debarghya Paul,&nbsp;Kanta Bhattacheryya,&nbsp;Palash Das,&nbsp;Anshuman Sarkar,&nbsp;Aritra Acharyya","doi":"10.1007/s11664-026-12747-8","DOIUrl":"10.1007/s11664-026-12747-8","url":null,"abstract":"<div><p>This work reports the design, fabrication, and comprehensive characterization of a matrix-coupled optoelectronic resistor array based on white InGaN light-emitting diodes (LEDs) and CdS photoresistors, developed as a tunable electronic material platform for wide-range analog resistance control. The device incorporates an <i>M</i> × <i>N</i> (4 × 4 demonstrated) LED–photoresistor matrix housed within a mirror-coated polymeric spacer, enabling distance-dependent optical coupling that governs the electronic response of the CdS detectors. Detailed materials processing steps—including polylactic acid-based spacer fabrication, protected-silver reflective coatings, hot-melt encapsulation, and black nitrocellulose optical isolation—are presented to highlight the role of structural and interfacial materials in optical confinement and thermal stability. The optical–electronic behavior is described through an analytical model integrating a modified Shockley LED law, power-law radiance scaling, and Beer–Lambert attenuation through the spacer medium. Model parameters were extracted from measured LED I–V characteristics and fitted light-dependent resistor (LDR) resistance–voltage datasets, achieving excellent agreement with experiments (typical pointwise error &lt;  ± 3%). The fabricated arrays exhibit a wide programmable resistance span—from a few hundred ohms to tens of kilo-ohms per channel—while maintaining sub-picofarad parasitic capacitances, indicating minimal resistor–capacitor (RC) loading and strong potential for high-frequency operation. Temperature-dependent studies reveal stable behavior above ~318 K, confirming the robustness of the CdS-based optoelectronic material system. The demonstrated matrix-coupled structure represents a scalable, low-parasitic optoelectronic material architecture suitable for programmable analog elements, tunable loads, sensor interfacing, and electrically isolated control components in emerging electronic and photonic systems.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4658 - 4672"},"PeriodicalIF":2.5,"publicationDate":"2026-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT Study of Structural, Electronic, and Adsorption Properties of MoS2 Monolayer Functionalized with Sc and Hf","authors":"Dikcha Chhetri,&nbsp;Bibek Chettri,&nbsp;Nandita Sharma,&nbsp;Pronita Chettri,&nbsp;Sanat Kr. Das,&nbsp;Bikash Sharma","doi":"10.1007/s11664-026-12779-0","DOIUrl":"10.1007/s11664-026-12779-0","url":null,"abstract":"<div><p>Solid-state hydrogen storage materials with tunable properties are crucial for developing sustainable energy systems. In this work, we have investigated the structural, electrical, thermal, and adsorption–desorption properties of scandium (Sc)- and hafnium (Hf)-decorated MoS₂ monolayers using density functional theory (DFT) and molecular dynamics (MD) simulations to evaluate their potential as a hydrogen storing medium. Both dopants preferentially occupy the hollow sites with strong binding energy of 3.56 eV and 4.21 eV; however, the high diffusion energy barrier of Sc and Hf atoms suppresses the clustering effect. The positive phonon spectrum and stable MD results at 300, 500, and 700 K confirm the dynamic and thermal stability of the decorated systems. Sc and Hf decoration substantially modify the electronic property of MoS₂ by introducing a new energy state near the Fermi level, enabling stronger interaction with hydrogen. Sc-MoS₂ exhibits a semiconductor-to-metallic transition at low H₂ coverage, whereas Hf-decorated MoS₂ retains its semiconducting nature even after adsorption. The decorated systems can hold up to eight H₂ molecules (Sc-MoS₂) with adsorption energy ranging from −0.48 eV to −0.24 eV per H₂ molecule, while Hf-MoS₂ can bind up to seven molecules, having adsorption energy in the range of −0.84 eV to −0.28 eV/H₂. Although the resulting gravimetric density is still below the DOE target, these adsorption energies are within the range for reversible hydrogen adsorption. MD simulations further verify the thermal stability of maximum H₂-loaded systems performed at different temperatures. Overall, the results highlight the effectiveness of transition metal decoration in tailoring the hydrogen adsorption and desorption behaviour of MoS_2, guiding the design of next-generation 2D hydrogen storage materials.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4509 - 4527"},"PeriodicalIF":2.5,"publicationDate":"2026-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-Principles Investigation of the Structural Stability and Optoelectronic Properties of Thallium-Based Double Perovskites A2AlTlI6 (A = K, Rb, Cs)","authors":"Tanvir Ahmed,&nbsp;Anirbun Paul Arko,&nbsp;M. Shahidul Islam,&nbsp;Md.Nahid Hasan Shefat,&nbsp;Dipannita Basak,&nbsp;M. Abdur Razzaq","doi":"10.1007/s11664-026-12786-1","DOIUrl":"10.1007/s11664-026-12786-1","url":null,"abstract":"<div><p>Currently, double halide perovskites are being explored as viable replacements for fossil fuels in green energy sectors such as photovoltaic and thermoelectric applications. Using the full-potential linearized augmented-plane-wave (FP-LAPW) method within the WIEN2k implementation of density functional theory (DFT), this research provides an extensive characterization of A₂AlTlI₆ (A = K, Rb, and Cs). The study focuses on their structural, mechanical, optoelectronic, and thermoelectric properties. Structural optimization was performed using the Perdew–Burke–Ernzerhof generalized gradient approximation (PBE-GGA) functional, while transport coefficients were calculated using the BoltzTraP code. The dynamic stability of these compounds is confirmed by the absence of negative frequencies in the phonon dispersion relations, while the calculated negative formation energies ensure their thermodynamic stability. Additionally, mechanical stability is verified by satisfying the Born–Huang criteria, and the analysis of the Pugh ratio confirms the ductile nature of these materials. The optimized lattice parameters are 12.21 Å, 12.26 Å, and 12.34 Å for K₂AlTlI₆, Rb₂AlTlI₆, and Cs₂AlTlI₆, respectively. Electronic structure analysis via the Tran–Blaha modified Becke‒Johnson potential (TB-mBJ) potential revealed indirect bandgaps (L-Γ) of 2.27 eV, 2.30 eV, and 2.28 eV for K₂AlTlI₆, Rb₂AlTlI₆, and Cs₂AlTlI₆, respectively, which positions them as ideal candidates for top-cell absorbers in tandem solar cell architectures. Furthermore, these materials exhibit superior optical properties, including high conductivity and strong absorption with low reflectivity (&lt;35%), which positions them as promising candidates for photovoltaic applications. The figure of merit (ZT) at 100 K is 0.12, 0.23, and 0.25 for K₂AlTlI₆, Rb₂AlTlI₆, and Cs₂AlTlI₆, respectively. The Seebeck coefficient analysis reveals p-type conduction for K-based compounds and n-type behavior for Cs-based analogs. These findings suggest that the A₂AlTlI₆ series holds significant potential for optoelectronic devices, while further strategies, such as doping or vacancy engineering, are recommended to increase their thermoelectric efficiency.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 5","pages":"4553 - 4569"},"PeriodicalIF":2.5,"publicationDate":"2026-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147636996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}