Materials Science and Engineering: R: Reports最新文献_第3页

Angular selective optical metasurfaces: Fundamentals, progress and applications 角选择光学超表面：基本原理、进展与应用

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-19 DOI: 10.1016/j.mser.2025.101055

Yile Fan , Hexiang Han , Pan Wang , Mengqi Zhang , Jin Zhang , Chengyu Xiao , Shaowen Chen , Xing Lou , Di Zhang , Han Zhou

{"title":"Angular selective optical metasurfaces: Fundamentals, progress and applications","authors":"Yile Fan , Hexiang Han , Pan Wang , Mengqi Zhang , Jin Zhang , Chengyu Xiao , Shaowen Chen , Xing Lou , Di Zhang , Han Zhou","doi":"10.1016/j.mser.2025.101055","DOIUrl":"10.1016/j.mser.2025.101055","url":null,"abstract":"<div><div>Light manipulation over spatial angular dispersion is a fundamental challenge. The advent of metasurfaces promotes the manipulation of electromagnetic waves in the energy-momentum space. By adjusting the spatial dispersion characteristics, metasurfaces can realize diverse angular selective functionalities, which manifest as unique optical effects customized over particular angular ranges and have garnered increasing interest to address growing application demands. This review introduces state-of-the-art developments of angular selective optical metasurfaces, emphasizing the significant breakthroughs realized until now. We start by introducing fundamental design strategies enabling angular dispersion. Then, the recent progress in angular selective optical metasurfaces, i.e., emission, reflection, transmission, and dynamic directional metasurfaces, are systemically overviewed. Subsequently, their diverse applications such as thermal management, information transfer and encryption, imaging and advanced light detection and ranging systems are addressed. Finally, existing challenges, and potential directions are presented with perspectives in the concluding part, aiming to provide guidance for the future development of advanced angular selective optical metasurfaces.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101055"},"PeriodicalIF":31.6,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Revolutionary NiCo layered double hydroxide electrodes: Advances, challenges, and future prospects for high-performance supercapacitors 革命性的NiCo层状双氢氧化物电极：高性能超级电容器的进展、挑战和未来前景

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-19 DOI: 10.1016/j.mser.2025.101041

Syed Shaheen Shah , Md. Abdul Aziz , Takaya Ogawa , Laiq Zada , Mohsin Ali Marwat , Syed Muhammad Abdullah , Abdul Jabbar Khan , Muhammad Usman , Ibrahim Khan , Zafar Said , Munetaka Oyama

{"title":"Revolutionary NiCo layered double hydroxide electrodes: Advances, challenges, and future prospects for high-performance supercapacitors","authors":"Syed Shaheen Shah , Md. Abdul Aziz , Takaya Ogawa , Laiq Zada , Mohsin Ali Marwat , Syed Muhammad Abdullah , Abdul Jabbar Khan , Muhammad Usman , Ibrahim Khan , Zafar Said , Munetaka Oyama","doi":"10.1016/j.mser.2025.101041","DOIUrl":"10.1016/j.mser.2025.101041","url":null,"abstract":"<div><div>The increasing global energy demand and transition to renewable sources emphasize the critical need for advanced energy storage technologies. Supercapacitors, with their high power density, rapid charge/discharge rates, and long cycle life, have emerged as a promising solution. Among various electrode materials, NiCo layered double hydroxides (NiCoLDHs) are particularly notable due to their tunable composition, large surface area, high electrical conductivity, multiple redox states, and exceptional redox activity. This review comprehensively explores the structural and electrochemical properties of NiCoLDHs, highlighting recent advancements in their development as revolutionary electrode materials for supercapacitors. Strategies for enhancing capacitance, such as doping with metals/non-metals, hybridization with carbon materials (e.g., graphene, carbon nanotubes, biomass-derived carbon), and integration with metal oxides, sulfides, selenides, MXenes, MOFs, and conducting polymers, are systematically discussed. Additionally, synthetic methodologies and their impact on electrochemical performance are explored. Current challenges, including scalable synthesis, structural stability, and enhanced energy and power densities, are addressed. Insights from computational modeling and density functional theory provide guidance for optimizing performance at commercial scales. This work provides an overview of advances in NiCoLDHs for next-generation, cost-effective, and sustainable energy storage devices.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101041"},"PeriodicalIF":31.6,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144313154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High-energy LiFePO4 battery with methodically controlled dry electrode processing 高能LiFePO4电池与有条不紊地控制干电极加工

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-18 DOI: 10.1016/j.mser.2025.101048

Jimin Park , Chaerin Gim , Chihyun Hwang , Jonghyun Park , Yun–Chae Jung , Jang–Yeon Hwang

{"title":"High-energy LiFePO4 battery with methodically controlled dry electrode processing","authors":"Jimin Park , Chaerin Gim , Chihyun Hwang , Jonghyun Park , Yun–Chae Jung , Jang–Yeon Hwang","doi":"10.1016/j.mser.2025.101048","DOIUrl":"10.1016/j.mser.2025.101048","url":null,"abstract":"<div><div>Batteries using the LiFePO<sub>4</sub> (LFP) cathode have emerged as the most notable option for electric vehicle applications owing to their low cost and safety relative to other chemistries. However, the fabrication of a high-energy electrode through the conventional wet electrode processing with the LFP nanoparticles faces challenges because the polymer binders heterogeneously agglomerate with the nanoplate LFP cathode throughout the electrode owing to the capillary traction in the solvent drying process. Herein, a high-energy LFP electrode is innovatively fabricated through methodical control of dry electrode processing from the particle to electrode level. The high tap density micron-sized LFP particles coated with a small amount (0.3 wt%) of carbon nanotubes (CNTs) are used as cathode materials (LFP@CNTs). In the dry electrode processing, the continuous fibrillation between LFP@CNTs (99 wt%) and polytetrafluoroethylene (PTFE) binder (1 wt%) enabled by regulating the shear force can produce the robust and elastic network, ensuring high electrode density over 2.4 g cc<sup>−1</sup> of the dry-processed LFP electrode (LFP-DE) without mechanical rupture of LFP@CNTs. The uniform pore distribution and robust electrical pathways in LFP-DE enhances the Li<sup>+</sup> diffusion and electron transport kinetics during the charge<img>discharge processes. Even under a high capacity loading of 5 mAh cm<sup>−2</sup>, the LFP-DE demonstrates a high reversible capacity of 148.4 mAh g<sup>−1</sup>, an excellent capacity retention of 99 % over 100 cycles at 5 mA cm<sup>−2</sup>, and outstanding power capability up to 15 mA cm<sup>−2</sup>. The LFP-DE demonstrates practical applicability with long-term cycling over 700 cycles in a pouch-type full-cell with a graphite anode.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101048"},"PeriodicalIF":31.6,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A general framework to govern machine learning oriented materials data quality 管理面向机器学习的材料数据质量的通用框架

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-18 DOI: 10.1016/j.mser.2025.101050

Yue Liu , Zhengwei Yang , Xinxin Zou , Yuxiao Lin , Shuchang Ma , Wei Zuo , Zheyi Zou , Hong Wang , Maxim Avdeev , Siqi Shi

{"title":"A general framework to govern machine learning oriented materials data quality","authors":"Yue Liu , Zhengwei Yang , Xinxin Zou , Yuxiao Lin , Shuchang Ma , Wei Zuo , Zheyi Zou , Hong Wang , Maxim Avdeev , Siqi Shi","doi":"10.1016/j.mser.2025.101050","DOIUrl":"10.1016/j.mser.2025.101050","url":null,"abstract":"<div><div>Machine learning (ML) is increasingly applied in materials discovery and property prediction, mainly due to its advantage of low-cost and efficient data analysis process. The materials data quality can heavily influence the performance of ML models. However, most current data quality improvement approaches are purely data-driven, neglecting materials domain knowledge and data quality issues latent in the entire process of ML modelling. Here, we address the definition of high-quality data and propose a general framework for ML-oriented MATerials Data Quality Governance incorporating domain knowledge (MAT-DQG), involving nine dimensions defining WHAT materials data quality should be evaluated, lifecycle models guiding WHEN to execute data governance activities in the entire process of ML modelling, and processing models guiding HOW to detect and address issues related to materials data quality. 60 datasets from materials ML studies are assembled to demonstrate potential utility and applications of MAT-DQG, including mining complicated structure-activity relationships in metals, inorganic non-metals, polymers, and composite materials. MAT-DQG identifies and resolves issues in 17 datasets and as a result prediction accuracy improvements of up to 49 % are achieved. Our work lays a foundation for governing ML-oriented materials data and ensuring its reusability and reliability, which advances the frontiers of materials discovery and design.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101050"},"PeriodicalIF":31.6,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Carbon allotropes/fabrics-based triboelectric nanogenerators: Current progress and future perspectives 基于碳同素异形体/织物的摩擦电纳米发电机：目前进展和未来展望

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-17 DOI: 10.1016/j.mser.2025.101049

Shan He , Matt Jellicoe , Aniket Chakraborthy , Md. Eshrat E. Alahi , Anindya Nag , Warwick Powell

{"title":"Carbon allotropes/fabrics-based triboelectric nanogenerators: Current progress and future perspectives","authors":"Shan He , Matt Jellicoe , Aniket Chakraborthy , Md. Eshrat E. Alahi , Anindya Nag , Warwick Powell","doi":"10.1016/j.mser.2025.101049","DOIUrl":"10.1016/j.mser.2025.101049","url":null,"abstract":"<div><div>The paper presents a substantial review of triboelectric nanogenerators (TENG) development using different carbon allotropes and fabric materials. TENG has been state-of-the-art since the last decade due to its low cost, simple construction, high output and multifunctional applications. Based on their working mechanism, these prototypes have been developed using a wide range of nanomaterials and polymers to induce high open-circuit voltage and short-circuit current. Certain carbon-based nanomaterials, such as carbon nanotubes, graphene and others, have been found to be very effective due to their excellent electrical properties and biocompatibility. These carbon materials have been intertwined and fused with polymers to form effective energy generators and harvesters. Conjugating these carbon materials into certain flexible fabrics, like cotton, silk, polyester and others, has been largely successful. In addition to some of the factors that affect the performance of the nanogenerators, this paper also showcases some of the fabric-based prototypes, the performance of which has been enhanced by adding carbon materials. The market survey and the future perspectives have also been shown.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101049"},"PeriodicalIF":31.6,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Growth, structures, properties, and applications of 2D materials comprising black phosphorous-like structures with highly in-plane anisotropy 具有高度平面内各向异性的类黑磷结构的二维材料的生长、结构、性质和应用

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-16 DOI: 10.1016/j.mser.2025.101052

Ching-Hwa Ho , Thalita Maysha Herninda

{"title":"Growth, structures, properties, and applications of 2D materials comprising black phosphorous-like structures with highly in-plane anisotropy","authors":"Ching-Hwa Ho , Thalita Maysha Herninda","doi":"10.1016/j.mser.2025.101052","DOIUrl":"10.1016/j.mser.2025.101052","url":null,"abstract":"<div><div>Black phosphorus (BP), with its unique puckered honeycomb structure defined by armchair and zigzag chains, has gained significant attention owing to its tunable direct bandgap, high carrier mobility, and pronounced anisotropic behavior. These attributes make BP a leading candidate for next-generation electronics, optoelectronics, and sensors. However, its application is limited by significant challenges, such as instability under environmental conditions and the difficulty of synthesizing large-area, high-quality nanofilms. To overcome these obstacles and study their unique behaviors, researchers are turning to BP-like materials. The materials offer enhanced environmental stability and easier fabrication while retaining the beneficial properties of BP. BP analogs include Group V (phosphorus and arsenic) materials and Group IV-VI two-dimensional (2D) semiconductors, both showcasing distinctive advantages and expanding the horizons of 2D materials research. With tunable bandgaps, high carrier mobilities, and robust environmental stabilities, these materials open new pathways for the development of innovative applications and technologies. This review covers the crystal structures, properties, and synthesis techniques of BP and its analogs, providing a comparative analysis of their strengths and limitations. By highlighting the breakthroughs and challenges in this field, this paper aims to inspire further exploration into the design and application of these advanced materials, paving the way for transformative innovations in nanotechnology.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101052"},"PeriodicalIF":31.6,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144290621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Simultaneous solar power harnessing and water treatment for water-energy sustainability 同时利用太阳能和水处理以实现水-能源的可持续性

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-16 DOI: 10.1016/j.mser.2025.101038

Abdul Ghaffar, Muhammad Bilal Asif, Javeed Mahmood, Cafer T. Yavuz

{"title":"Simultaneous solar power harnessing and water treatment for water-energy sustainability","authors":"Abdul Ghaffar, Muhammad Bilal Asif, Javeed Mahmood, Cafer T. Yavuz","doi":"10.1016/j.mser.2025.101038","DOIUrl":"10.1016/j.mser.2025.101038","url":null,"abstract":"<div><div>Solar evaporation is a promising technique for simultaneous water treatment and energy generation because it is environmentally friendly and has low maintenance costs. Several options are available to harness low-grade waste energy and mass flow, as well as salinity and temperature gradients, for interfacial solar evaporation. This review provides a comprehensive summary of the materials and devices used for simultaneous water treatment and energy harvesting, along with how they influence the chemistry of the water-energy nexus. Key approaches to improve energy conversion efficiency, minimize energy losses, and low-grade residual heat applications have been explored, including piezoelectric, pyroelectric, salinity gradient, triboelectric, and thermo-electrochemical methods. The physics and engineering of solar-thermal approaches, modes of operation, and materials, as well as hybrid desalination and energy generation with different solar-thermal materials, solar-steam devices, and systems are also assessed. Finally, future research challenges and opportunities are outlined in the context of commercialization.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101038"},"PeriodicalIF":31.6,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Carbon dots for reactive oxygen species modulation 用于活性氧调制的碳点

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-14 DOI: 10.1016/j.mser.2025.101024

Guopeng Xu , Yiheng Tang , Danfeng Xiong , Wenkun Zhang , Ziyu Liu , Paul K. Chu , Guomin Wang

{"title":"Carbon dots for reactive oxygen species modulation","authors":"Guopeng Xu , Yiheng Tang , Danfeng Xiong , Wenkun Zhang , Ziyu Liu , Paul K. Chu , Guomin Wang","doi":"10.1016/j.mser.2025.101024","DOIUrl":"10.1016/j.mser.2025.101024","url":null,"abstract":"<div><div>Reactive oxygen species (ROS) manipulation is emerging as a pivotal focus in biomaterials design. Carbon dots (CDs), with their superior biocompatibility, facile synthesis, exceptional electronic properties, and abundant active sites, are gaining significant attention as ROS modulators (CDRMs). However, unclear mechanisms of action and challenges in controlling activity and selectivity hinder the advancement of CDRMs for sophisticated biomedical applications. While existing reviews have summarized the synthesis and biomedical applications of CDs, none have systematically addressed their roles and mechanisms in ROS modulation. Additionally, a universal principle for designing efficient and selective CDRMs is urgently needed to advance their clinical translation. This review explores the origins of activity in CDRMs, elucidates modulation mechanisms, and provides in-depth insights into tailoring CDRMs for ROS upregulation, downregulation, and bidirectional manipulation. Strategies such as nanozyme-catalyzed, physical field-energized, and precursor-inherited ROS management are highlighted, followed by an analysis of methods to optimize CDRM activity and selectivity, addressing critical gaps in current literature. Furthermore, the applications of CDRMs in cancer therapy, wound healing, and inflammation-related diseases are summarized and analyzed. Finally, we discuss existing obstacles, such as low efficacy and selectivity, and propose strategies to enhance the clinical translation of CDRMs, offering a forward-looking perspective to guide future research and innovation in this promising field.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101024"},"PeriodicalIF":31.6,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Directed charge transfer of Zn-O bridge of atomistic tandem dual Z-scheme heterojunction for photocatalytic CO2 reduction 原子串联双z方案异质结Zn-O桥的定向电荷转移光催化CO2还原

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-12 DOI: 10.1016/j.mser.2025.101039

Xuejing Li , Weng-Chon (Max) Cheong , Xinyu Xu , Heng Rao , Ping She , Sibo Wang , Jun-sheng Qin

{"title":"Directed charge transfer of Zn-O bridge of atomistic tandem dual Z-scheme heterojunction for photocatalytic CO2 reduction","authors":"Xuejing Li , Weng-Chon (Max) Cheong , Xinyu Xu , Heng Rao , Ping She , Sibo Wang , Jun-sheng Qin","doi":"10.1016/j.mser.2025.101039","DOIUrl":"10.1016/j.mser.2025.101039","url":null,"abstract":"<div><div>Photocatalytic CO<sub>2</sub> reduction (PCR) is limited by unsatisfied activity and selectivity. The integration of molecular photocatalysts with semiconductors can solve the above two issues simultaneously. However, most of the organic-inorganic heterojunctions are bulky-based morphologies, which are still restricted by the control of surface areas and charge transfer. Herein, a tandem dual Z-scheme heterostructure was synthesized by assembling cobalt porphyrin ([meso-tetra (4-sulfonate phenyl) porphyrinato], CoTPPS) on hollow-structured TiO<sub>2</sub>@ZnIn<sub>2</sub>S<sub>4</sub> (H-TiO<sub>2</sub>@ZIS). The optimized H-TiO<sub>2</sub>@ZIS@CoTPPS exhibits superior solar fuel evolution of 158.15 μmol<sub>CO</sub> g<sup>−1</sup>·h<sup>−1</sup> via the PCR process, which is superior to most reported TiO<sub>2</sub> and ZIS-based photocatalysts. The exceptional photocatalytic performance is ascribed to enhanced light absorption, elevated surface areas, directed charge separation, and improved CO<sub>2</sub> activation. Specifically, the double built-in electric field (IEF) and the Zn-O bond of dual Z-scheme structures facilitate fast charge separation. Detailed charge transfer dynamics of H-TiO<sub>2</sub>@ZIS@CoTPPS are investigated by experimental characterizations and density functional theory (DFT) calculations. This investigation provides atomistic insight into unique dual Z-scheme heterostructure and offers a new paradigm for solar-driven energy conversion</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101039"},"PeriodicalIF":31.6,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

V2Se2O and Janus V2SeTeO: Monolayer altermagnets for the thermoelectric recovery of low-temperature waste heat V2Se2O和Janus V2SeTeO：用于低温废热热电回收的单层交替磁体

IF 31.6 1区材料科学

Materials Science and Engineering: R: Reports Pub Date : 2025-06-11 DOI: 10.1016/j.mser.2025.101017

Shubham Singh, Paresh C. Rout, Mohammed Ghadiyali, Udo Schwingenschlögl

{"title":"V2Se2O and Janus V2SeTeO: Monolayer altermagnets for the thermoelectric recovery of low-temperature waste heat","authors":"Shubham Singh, Paresh C. Rout, Mohammed Ghadiyali, Udo Schwingenschlögl","doi":"10.1016/j.mser.2025.101017","DOIUrl":"10.1016/j.mser.2025.101017","url":null,"abstract":"<div><div>We determine the thermoelectric properties of the V<sub>2</sub>Se<sub>2</sub>O and Janus V<sub>2</sub>SeTeO monolayer altermagnets with narrow direct band gaps of 0.74 and 0.26 eV, respectively. Monte Carlo simulations reveal Néel temperatures of 800 K for V<sub>2</sub>Se<sub>2</sub>O and 525 K for Janus V<sub>2</sub>SeTeO. The electrical conductivity is higher for <em>p</em>-type charge carriers than for <em>n</em>-type charge carriers due to lower effective masses. The presence of heavy Te atoms in Janus V<sub>2</sub>SeTeO results in lower phonon group velocities, higher phonon scattering rates, and higher lattice anharmonicity than in the case of V<sub>2</sub>Se<sub>2</sub>O, leading to an almost 19-fold reduction of the lattice thermal conductivity at 300 K. The thermoelectric figure of merit of V<sub>2</sub>Se<sub>2</sub>O reaches 0.4 (0.1) and that of Janus V<sub>2</sub>SeTeO reaches 2.7 (1.0) just below the Néel temperature at the optimal <em>p</em>-type (<em>n</em>-type) charge carrier density, demonstrating that altermagnets have excellent potential in the thermoelectric recovery of low-temperature waste heat.</div></div>","PeriodicalId":386,"journal":{"name":"Materials Science and Engineering: R: Reports","volume":"166 ","pages":"Article 101017"},"PeriodicalIF":31.6,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144253659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0