Journal of Materials Chemistry C最新文献

{"title":"Enhanced dielectric properties of alternative NO-gas-based SiO2 films via plasma-enhanced chemical vapor deposition for high-performance indium–gallium–zinc oxide thin-film transistors†","authors":"Se-Ryong Park, Eun-Ha Kim, Yunhui Jang, Youngjin Kang, Yong-Hoon Kim, Junsin Yi and Tae-Jun Ha","doi":"10.1039/D5TC00213C","DOIUrl":"https://doi.org/10.1039/D5TC00213C","url":null,"abstract":"<p >Nitric oxide (NO) is proposed as an alternative gas to nitrous oxide (N<small>₂</small>O) for the formation of silicon dioxide (SiO<small>₂</small>) films by plasma-enhanced chemical vapor deposition. Post-thermal annealing in a N<small>₂</small> atmosphere is employed to improve the current–voltage and capacitance–voltage characteristics of the films by removing charge impurities and curing defect states, thereby restoring the intrinsic dielectric properties of the NO-based SiO<small>₂</small> films. The effects of the enhanced dielectric properties of the NO-based SiO<small>₂</small> films on the device performance of indium–gallium–zinc oxide (IGZO) thin-film transistors (TFTs) were subsequently investigated. The IGZO TFT consisting of a NO-based SiO<small>₂</small> dielectric film annealed at 300 °C in a N<small>₂</small> atmosphere exhibits excellent electrical characteristics, including a low off-current, large on/off ratio, low subthreshold swing, high field-effect mobility, and threshold voltage near 0 V. Improvements in electrical stability of the IGZO TFTs against a prolonged bias stress are also achieved owing to the introduction of N<small>₂</small>-annealed SiO<small>₂</small> dielectric films. Finally, charge-transport properties are investigated <em>via</em> temperature-dependent field-effect mobility analysis to determine the activation energy and interfacial trap density of states, which agree well with the improved device performance of the IGZO TFTs consisting of NO-based SiO<small>₂</small> films with enhanced dielectric properties.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8461-8469"},"PeriodicalIF":5.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-assembly and ambipolar charge transport in columnar phases of polynuclear gold isocyano–triphenylene complexes†","authors":"Estela de Domingo, Gregorio García, Emiliano Tritto, Bertrand Donnio, Asmita Shah, Dharmendra Pratap Singh and Silverio Coco","doi":"10.1039/D5TC00575B","DOIUrl":"https://doi.org/10.1039/D5TC00575B","url":null,"abstract":"<p >An uncommon approach to the synthesis of ambipolar semiconductors based on di- and tri-nuclear gold isocyano–triphenylene complexes of the formula [(AuX)<small>_<em>n</em></small>(CN–C<small>₆</small>H<small>₄</small>–O–(CH<small>₂</small>)<small>₆</small>)<small>_<em>n</em></small>–TriPh] (<em>n</em> = 2, 3; X = Cl, C<img>C–Ph) is described. Although mesomorphism has only been obtained with chloro derivatives, the trialkynyl complex has turned out to be a precursor of gold nanoparticles. The chloro complexes self-assemble in lamello-columnar phases, whose supramolecular organizations were confirmed by SAXS/WAXS experiments. Both the tri(chloro-gold) and the di(chloro-gold) complexes display high ambipolar charge transport along the columnar stacking direction, either in the mesophase (trichloro derivative) or in the crystalline solid state (dichloro complex). The analysis of ambipolar charge transport in the chloro-gold compounds has been performed using the time-of-flight (ToF) technique. The dichloro compound exhibits an ambipolar charge carrier mobility of the order of 10<small>⁻⁴</small> cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small>, whereas the trinuclear compound displays an ambipolar charge carrier mobility of the order of 10<small>⁻³</small> cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small>, which is attributed to the addition of a supplementary peripheral –NC–Au–Cl complex unit, offering a drift field to the charge carriers and a lower optical bandgap. Quantum chemical calculations show that the introduction of an additional –NC–Au–Cl fragment to the dinuclear complex to give the trinuclear derivative promotes a cofacial stacking of the molecules, which increases the mobility of the charge carriers of the system. Due to their ambipolar charge carrier mobility, the poly-nuclear gold isocyano–triphenylene complexes demonstrate their potential for use in organic electronics and optoelectronic devices.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8563-8570"},"PeriodicalIF":5.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/tc/d5tc00575b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of non-fused and fused substituents in quinoxaline-based central units on conformation, aggregation, and photovoltaic properties of non-fused ring electron acceptors†","authors":"Kenta Yamada, Wataru Suzuki, Motohisa Kubota, Junichi Inamoto, Mizuho Kondo, Tomoyuki Koganezawa, Yuki Chiga, Ryo Takahata, Toshiharu Teranishi, Hiroshi Imahori and Tomokazu Umeyama","doi":"10.1039/D5TC00204D","DOIUrl":"https://doi.org/10.1039/D5TC00204D","url":null,"abstract":"<p >Non-fused ring electron acceptors (NFREAs) have garnered significant attention in organic photovoltaics (OPVs) due to their promising potential for practical applications. In this study, we prepared two acceptor–donor–acceptor′–donor–acceptor (A–D–A′–D–A) type NFREAs, CRIC and BRIC, featuring a quinoxaline (Qx) derivative with two alkoxy chains at the 6,7-positions as the central A′ unit. Phenanthrene is fused to the Qx ring in BRIC, whereas the 4a–4b bond of the fused phenanthrene is cleaved in CRIC. Theoretical calculations and detailed analyses of <small>¹</small>H NMR spectroscopy suggest that both CRIC and BRIC most likely adopt an S-shaped conformation, in which one D–A′ linkage forms an intramolecular S⋯O noncovalent bond, while the other forms an S⋯N bond. Notably, BRIC formed aggregates at high concentrations, whereas CRIC did not exhibit such aggregation. When blended with the conjugated polymer donor PBDB-T, CRIC- and BRIC-based OPV devices achieved high power conversion efficiencies (PCEs) of 11.6% and 8.25%, respectively. The relatively lower PCE of the BRIC-based device was attributed to larger domain sizes in the PBDB-T:BRIC blend film, which hindered efficient exciton diffusion to the donor–acceptor interface. These findings offer valuable insights into the molecular design of high-performance Qx-based NFREAs for OPV applications.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 16","pages":" 7984-7995"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of sensing sensitivity and coherence properties of spin defects in hexagonal boron nitride†","authors":"Fei Ren, Yiyuan Wu, Zongwei Xu and Neng Wan","doi":"10.1039/D4TC05049E","DOIUrl":"https://doi.org/10.1039/D4TC05049E","url":null,"abstract":"<p >Hexagonal boron nitride (hBN) nanoflakes embedded with spin defects can be easily integrated into two-dimensional materials and devices to serve as both substrate materials and quantum sensors. In particular, the negatively charged boron vacancy (V<small>_B</small><small>⁻</small>) spin defects are garnering increasing interests in sensing applications. However, optimal irradiation parameters for generating V<small>_B</small><small>⁻</small> ensemble in hBN flakes with a thickness of several hundred nanometers are still lacking. In this work, we investigated the influence of the irradiation dose on the spin properties of the V<small>_B</small><small>⁻</small> ensemble with determined density using continuous and pulsed optically detected magnetic resonance (ODMR) techniques. A trend of saturation dependence was observed among the ODMR contrast, linewidth, magnetic sensitivity, and bias magnetic field for the V<small>_B</small><small>⁻</small> ensemble in hBN flakes that were irradiated with varying doses. For 50 keV helium ion irradiation, the optimal dose was 2 × 10<small>¹⁴</small> ions per cm<small>²</small>, which produced a V<small>_B</small><small>⁻</small> ensemble with superior magnetic sensitivity and spin relaxation and coherence times. Furthermore, the impact of an external magnetic field on the spin relaxation dynamics of the V<small>_B</small><small>⁻</small> ensemble and the role of lattice damage in reducing the coherence time were discussed. These results provide a framework for optimizing the sensing sensitivity and coherence properties of the V<small>_B</small><small>⁻</small> ensemble in hBN as layered quantum sensors and offer insights into the mechanisms that limit the spin properties.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8813-8822"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"2D V2C and V2AlC layers: ascendant deep ultraviolet optical limiting materials†","authors":"Junjie Yuan, Houwen Yang, Zhengping Wang and Wenyong Cheng","doi":"10.1039/D5TC00032G","DOIUrl":"https://doi.org/10.1039/D5TC00032G","url":null,"abstract":"<p >Two-dimensional (2D) transition metal carbides (MXenes), known for their unique properties, have ignited a surge of extensive interdisciplinary research. However, the broadband nonlinear absorption properties of MXenes have rarely been explored in prior studies, particularly in the deep ultraviolet region. Furthermore, the nonlinear optical properties of the precursor MAX phase are often overlooked. In this study, we synthesized a 2D V<small>₂</small>C multilayer MXene by selectively etching aluminum from V<small>₂</small>AlC. The broadband nonlinear optical behaviors of both V<small>₂</small>AlC and V<small>₂</small>C nanosheets were investigated using open aperture and closed aperture <em>Z</em>-scan techniques, spanning a wide range from the deep ultraviolet to near-infrared wavelengths. Additionally, we employed density functional theory (DFT) calculations to determine the energy band structures. The results reveal that both V<small>₂</small>AlC and V<small>₂</small>C nanosheets exhibit excellent optical limiting properties in the deep ultraviolet range, along with a significantly larger nonlinear refractive index in the visible spectrum. These findings underscore the importance of V<small>₂</small>AlC and V<small>₂</small>C nanosheets as promising materials for optical limiting applications, thereby broadening their potential applications in nonlinear optics.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8702-8709"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual switching of dielectric and SHG triggered by thermal driven helical axis transformation with fluorescence characteristics†","authors":"Yang Zhu, Bo-Wen Deng, Ji Jin, Yu-Hua Wu, Yu-Jun Zhao, Xin Chen, Xiu-Ni Hua and Hai-Bao Duan","doi":"10.1039/D4TC04379K","DOIUrl":"https://doi.org/10.1039/D4TC04379K","url":null,"abstract":"<p >Organic–inorganic hybrid perovskites (OIHPs) have aroused widespread interest because of their exceptional performance in thermal, optical, electric, and information storage applications. However, it is relatively rare for OIHPs to respond to both temperature and light, which limits their multifunctional applications. Therefore, in this article, by incorporating [<em>N</em>,<em>N</em>-dimethyl-pyrrolidinium]<small>⁺</small> as the cation, in combination with lead halide exhibiting semiconducting properties, two OIHPs (<em>N</em>,<em>N</em>-dimethyl-pyrrolidinium)PbCl<small>₃</small> (compound <strong>1</strong>) and (<em>N</em>,<em>N</em>-dimethyl-pyrrolidinium)PbBr<small>₃</small> (compound <strong>2</strong>) were successfully obtained. These compounds not only exhibit two phase transitions but also demonstrate second harmonic generation (SHG) and dielectric switching near 270 K and 278 K, respectively. Surprisingly, due to the presence of helical axes in the inorganic framework, both compounds crystallize in the chiral <em>P</em>6<small>₁</small> space group below room temperature. The first phase transition results from the transformation of the 6<small>₁</small> to the 6<small>₃</small> screw axes in the inorganic framework, while the second phase transition is attributed to the order-to-disorder transformation of cations. This study provides a new perspective for designing polar multifunctional switchable phase materials.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8745-8752"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Critical behaviour and magnetocaloric properties of Fe88Zr5Hf2B4Cu1 metallic glass for near-room temperature magnetic refrigeration application†","authors":"Anjana Vinod, D. Arvindha Babu, Manivel Raja Muthuvel, Parthiban Ramasamy and W. Madhuri","doi":"10.1039/D4TC04586F","DOIUrl":"https://doi.org/10.1039/D4TC04586F","url":null,"abstract":"<p >The escalating global demand for energy has precipitated a rapid expansion of the refrigeration industry, necessitating the development of innovative, sustainable, and economically viable methods. Green magnetic refrigeration technologies, which can be optimized within a concise time frame, are of particular emphasis. The primary objective of this article is to establish an efficient and accurate methodology for predicting and preparing the magnetocaloric properties of relevant materials. In the present article Fe<small>₈₈</small>Zr<small>₅</small>Hf<small>₂</small>B<small>₄</small>Cu<small>₁</small> is synthesized by arc melting and melt spinning without any heat treatments. The structural, thermal, magnetic and morphological properties are studied using X-ray diffraction, differential scanning calorimetry (DSC), vibrating sample magnetometry (VSM) and transmission electron microscopy (TEM). This study is a comprehensive examination of the critical exponents of the Fe<small>₈₈</small>Zr<small>₅</small>Hf<small>₂</small>B<small>₄</small>Cu<small>₁</small> alloy. It employs a variety of analytical techniques, such as Arrot plots, Kouvel–Fisher plots, and magnetocaloric analysis, to clarify the alloy's magnetic behaviour near the transition temperature. The onset of ferromagnetic behaviour is precisely identified at 284 K, as determined by the transition temperature. The critical exponents derived from various methods align with the theoretical predictions of the 3D Heisenberg model, suggesting short-range interactions and magnetic inhomogeneity, consistent with the magnetization data. Additionally, the Arrot plot verifies a second-order phase transition, which offers valuable insights into the alloy's magnetic phase transition. The investigations indicate that the Fe<small>₈₈</small>Zr<small>₅</small>Hf<small>₂</small>B<small>₄</small>Cu<small>₁</small> compound is a promising candidate for magnetic refrigeration applications due to its moderate magnetocaloric effect (MCE) near room temperature and large temperature range.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 16","pages":" 8228-8237"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Organic field-effect transistor-based sensors: recent progress, challenges and future outlook","authors":"Bibi Amna and Turan Ozturk","doi":"10.1039/D4TC04265D","DOIUrl":"https://doi.org/10.1039/D4TC04265D","url":null,"abstract":"<p >OFET-based sensors consisting of small molecules or polymers as an active layer have garnered significant attention in recent years owing to their high flexibility and sensitivity, low fabrication cost and excellent substrate conformity. Compared to their inorganic counterparts, organic materials hold a rich family of functional moieties that can selectively react or bind with analytes as specific sensing sites. This review highlights recent progress (2018–2024) in the fabrication of OFET-based gas, pressure, temperature, light, pH, humidity, chemical and biological sensors with sensitivities approaching the limits of detection at parts per billion molar concentration. The challenges that are considered a bottleneck in developing sensors that fully meet the requirements for practical applications and the solutions proposed to tackle these challenges have also been included. The optimizations of the OFET devices for sensing activity, including the modification of semiconducting layers, dielectric engineering, and electrodes and their interfaces, are also illustrated. Furthermore, their relationships with sensing parameters, such as sensitivity, selectivity, and response time, as well as the proposed sensing mechanisms are discussed. This review is expected to offer inspiration for the future design of OFET-based sensors with diverse device architectures, as it features the current progress in the design and development of the extended-gate-type OFETs, electrolyte-gated OFETs, polyelectrolyte-gated OFETs, dual-gate OFETs and water-gated OFETs.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 17","pages":" 8354-8424"},"PeriodicalIF":5.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/tc/d4tc04265d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143896651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wireless, flexible, and disposable sensing devices enabling real-time long-term patient medical care for pressure injury prevention†","authors":"Ta-Sheng Chang, Chiao-Wen Chien, Elmer Ismael Guerra, Ting-Yi Wang, Chien-Wei Huang, Ying-Siou Lin, Jung-Chen Chang and Wei-Ssu Liao","doi":"10.1039/D4TC05320F","DOIUrl":"https://doi.org/10.1039/D4TC05320F","url":null,"abstract":"<p >Pressure injuries have become one of the most prevalent long-term healthcare challenges, and efficient detection of pressure on body tissues, especially over bony prominences, is essential for determining appropriate relief interventions. In the post-epidemic era, heightened awareness of infection risks and personal healthcare has strongly demanded disposable medical devices with durable functionality. In response, we introduce a wireless, flexible, and disposable sensing device designed for long-term stress monitoring and pressure injury prevention on the human-body. A porous paper matrix embedded with CNT–PEDOT composites establishes compressible conducting networks, enabling sensitive external pressure detection through piezoresistive effects. The dispersion of CNT–PEDOT aggregates and their distinctive gradient distribution throughout the porous paper structure provide controlled conductivity and sensitivity within the device. A multilayer design is achieved through selective drop-casting and preferential stacking forms alternating conductive/nonconductive interfaces, effectively modulating the device's electrical properties. With an outstanding sensitivity of 40.09 kPa<small>⁻¹</small>, a rapid response time of 125 ms, a broad pressure detection range of 0 to 100 kPa, good durability exceeding 1000 cycles, and consistent reproducibility across 500 times, this integrated sensor demonstrates strong potential for medical device applications. When integrated with a bluetooth module, the multichannel wireless detection system enables real-time remote monitoring of human movement. It accurately identifies various body postures with high sensitivity, specificity, and accuracy, achieving near 100% accuracy in clinical tests. In practice, the proposed sensor offers a promising solution for physiological signal monitoring, addressing both the cost and efficiency challenges associated with manufacturing disposable medical equipment. This approach is anticipated to significantly support caregivers in hospitals, long-term care facilities, and community home-care settings by facilitating effective, science-based pressure injury prevention in long-term patient management.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 16","pages":" 7943-7956"},"PeriodicalIF":5.7,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring structure and thermoelectric properties of p-type Ge1−xInxSb4Te7 compounds†","authors":"Peng Li, Hu Zhang, Lu Lu, Wenpeng Jia, Yongli Liu, Weiwei Meng, Chuanlin Zhang, Weiping Tong and Shao-Bo Mi","doi":"10.1039/D5TC00078E","DOIUrl":"https://doi.org/10.1039/D5TC00078E","url":null,"abstract":"<p >Thermoelectric (TE) properties of layered Ge–Sb–Te compounds have received extensive attention owing to their decent TE performance with high electrical conductivity and low thermal conductivity. Here, we report the structure and TE properties of In-doped GeSb<small>₄</small>Te<small>₇</small> compounds prepared by vacuum hot-pressing sintering. We determined that GeSb<small>₄</small>Te<small>₇</small>-based compounds exhibit site-occupational disorder due to Ge/Sb cation mixing and that In-doping in GeSb<small>₄</small>Te<small>₇</small> compounds significantly lowers the thermal conductivity, enhances the Seebeck coefficient, and improves the power factor of pristine GeSb<small>₄</small>Te<small>₇</small>. Noticeably, the room-temperature power factor of the Ge<small>_0.925</small>In<small>_0.075</small>Sb<small>₄</small>Te<small>₇</small> sample can be increased by 174% compared to that of the GeSb<small>₄</small>Te<small>₇</small> sample. The optimized electrical properties and the suppressed thermal conductivity result in a maximal TE figure-of-merit of 0.62 achieved in Ge<small>_0.925</small>In<small>_0.075</small>Sb<small>₄</small>Te<small>₇</small> at 750 K, which is about 41% higher than that of the pristine sample. Our theoretical calculations indicate that the band structure, the density of states, and the local crystal structure of GeSb<small>₄</small>Te<small>₇</small> can be modified by the In-doping, which contributes to improving the TE properties of GeSb<small>₄</small>Te<small>₇</small>-based compounds. Our studies on the atomic-scale structure of GeSb<small>₄</small>Te<small>₇</small> and the effect of In-doping on the TE performance are helpful to the configurational entropy design and the performance optimization of layered TE materials.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":" 15","pages":" 7785-7791"},"PeriodicalIF":5.7,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}