Materials Today Physics最新文献

Structural and electronic transformations in TiO2 induced by electric current 电流诱导的二氧化钛结构和电子变化

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-12 DOI: 10.1016/j.mtphys.2024.101546

引用次数: 0

Rapid growth of CO2 hydrate as a promising way to mitigate the greenhouse effect 二氧化碳水合物的快速增长是缓解温室效应的有效途径

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-05 DOI: 10.1016/j.mtphys.2024.101548

{"title":"Rapid growth of CO2 hydrate as a promising way to mitigate the greenhouse effect","authors":"","doi":"10.1016/j.mtphys.2024.101548","DOIUrl":"10.1016/j.mtphys.2024.101548","url":null,"abstract":"<div>Hydrate method to capture and store CO2 under sea floor as one of the most novel and promising methods to deal with the greenhouse effect and reduce carbon emission has gained increasing attention nowadays. But how to grow CO2 hydrate under promotion in confinement has rarely been exploited. Here the growth of CO2 hydrate with tetrahydrofuran (THF) promoter in confinement was systematically investigated by molecular dynamics simulations, with the counterpart growth but without promoter as a comparison. With promoter, an obviously more rapid growth of CO2 hydrate was observed and CO2 molecules went inside water cages along with the THF ones but not gathered into bubbles during the formation of clathrate. However, the gathering of CO2 bubbles in the system without promotion hindered the obvious formation of clathrate. The vivid movies and physical quantities were analyzed in detail in order to further unravel the physical mechanism of the growth process and the promotion effect of THF. The obtained simulation results proved that THF could indeed promote the confined growth of CO2 hydrate by preventing the formation of large CO2 bubbles, providing a theoretical foundation for the geological storage of CO2 hydrate in permafrost areas and marine sediments.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163225","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}

引用次数: 0

Ab initio modeling of superconducting alloys 超导合金的 Ab initio 建模

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-05 DOI: 10.1016/j.mtphys.2024.101547

{"title":"Ab initio modeling of superconducting alloys","authors":"","doi":"10.1016/j.mtphys.2024.101547","DOIUrl":"10.1016/j.mtphys.2024.101547","url":null,"abstract":"<div>Designing new, technologically relevant superconductors has long been at the forefront of solid-state physics and chemistry research. However, developing efficient approaches for modeling the thermodynamics of superconducting alloys while accurately evaluating their physical properties has proven to be a very challenging task. To fill this gap, we propose an ab initio thermodynamic statistical method, the Extended Generalized Quasichemical Approximation (EGQCA), to describe off-stoichiometric superconductors. Within EGQCA, one can predict any computationally accessible property of the alloy, such as the critical temperature in superconductors and the electron-phonon coupling parameter, as a function of composition and crystal growth conditions using a few small supercells. Importantly, EGQCA incorporates directly chemical ordering, lattice distortions, and vibrational contributions. As a proof of concept, we applied EGQCA to the well-known Al-doped MgBb2 and to niobium alloyed with titanium and vanadium, showing a remarkable agreement with the experimental data. Additionally, we modeled the near-room temperature sodalite-like Y1−xCaxH6 superconducting solid solution, demonstrating that EGQCA particularly possesses a promising potential for designing in silico high-Tc superhydride alloys. Our approach enables the high-throughput screening of complex superconducting solid solutions, providing valuable insights into these systems' synthesis, thermodynamics, and physical properties.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142163226","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}

引用次数: 0

Driving noncollinear interlayer exchange coupling intrinsically in magnetic trilayers 在磁性三层膜中内在驱动非共轭层间交换耦合

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-04 DOI: 10.1016/j.mtphys.2024.101544

引用次数: 0

A comprehensive review of laser processing-assisted 2D functional materials and their specific applications 全面回顾激光加工辅助二维功能材料及其具体应用

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101536

{"title":"A comprehensive review of laser processing-assisted 2D functional materials and their specific applications","authors":"","doi":"10.1016/j.mtphys.2024.101536","DOIUrl":"10.1016/j.mtphys.2024.101536","url":null,"abstract":"<div>With the increasing development of advanced technologies and new materials, recent trends in laser processing-assisted two-dimensional (2D) functional materials have gained significant interest. The ability to precisely control the features of these 2D materials through laser processing has expanded their potential applications in various fields. This review presents a comprehensive summary of recent trends in and potential applications of laser-assisted processing of 2D functional materials. General concepts of working principles, key parameters (i.e., laser wavelength, pulse duration, and repetition rate), and technical approaches (i.e., direct laser writing, doping, thinning, and creating defects) of laser processing are first introduced and discussed carefully. Laser processing-assisted 2D functional materials are then extensively discussed and listed. Finally, some specific applications (i.e., sensing devices, semiconductors, supercapacitors, and batteries, etc.) of laser processing-assisted 2D functional materials are presented. This review provides insights into laser processing-assisted 2D functional materials, offering guidance to researchers and industries on selecting the most suitable advanced technologies and potential 2D materials. This review also offers viewpoints and outlooks for future research directions and potential innovations that will markedly contribute to advances in laser processing-assisted 2D functional materials.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142098191","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}

引用次数: 0

Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance 氧化碘化铋作为一种高效室温氮氧化物气体传感器：表面取向对传感性能的影响

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101542

{"title":"Bismuth oxyiodide as a highly efficient room temperature NOx gas sensor: Role of surface orientations on sensing performance","authors":"","doi":"10.1016/j.mtphys.2024.101542","DOIUrl":"10.1016/j.mtphys.2024.101542","url":null,"abstract":"<div>In the pursuit of developing fast and reliable gas sensors, a new ternary oxide semiconductor, a bismuth oxyiodide (BiOI)-based sensing material, has been reported with desirable adsorption energy, short recovery time, and high sensitivity and selectivity for detecting nitrogen oxide mixtures (NOx, typically NO and NO2). The structural, electronic, and transport properties of both (001) and (012) planes of BiOI surfaces upon the adsorption of six environmentally relevant gases (NO, NO2, SO2, SO3, O2, and H2O) are systematically explored using a combination of density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The results indicate that BiOI (001) exhibits weak interaction with these gases, with the highest adsorption energy observed for NO. In contrast, the BiOI (012) surface shows enhanced adsorption stability for these gases, particularly acceptable strong adsorption to NO2, indicating its promising capability for detecting these gases with high specificity. Moreover, it demonstrates the most intense chemisorption for SO3, suggesting it to be a reliable SO3 adsorbent/cleaner. The obtained transport characteristics, including current-voltage (I-V) and resistance-voltage (R-V) curves, further highlight the higher selectivity of the BiOI (001) device towards NO and the BiOI (012) device towards NO2 against the other gases. Furthermore, the transmission spectra analyses reveal that the BiOI-based sensor can electrically discriminate the target gas molecules from other considered gas molecules. Besides, the practical application possibilities of both orientations are explored by estimating their recovery time, and the results show that the BiOI sensor has excellent recovery times at room temperature (NO/BiOI (001) = 0.158 ns, and NO2/BiOI (012) = 3.89 s), highlighting its potential as an ideal reversible gas-sensing material for detecting NOx gases.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142098192","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}

引用次数: 0

Data-driven design of high-curie temperature full-heusler alloys for spintronic applications 数据驱动设计用于自旋电子应用的高居里温度全豪斯勒合金

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101541

{"title":"Data-driven design of high-curie temperature full-heusler alloys for spintronic applications","authors":"","doi":"10.1016/j.mtphys.2024.101541","DOIUrl":"10.1016/j.mtphys.2024.101541","url":null,"abstract":"<div>In this study, we employ density functional theory (DFT) and subgroup discovery (SGD) to explore the structural and magnetic properties of full cubic Heusler compounds, with a particular emphasis on their Curie temperatures (Tc) and magnetic stability. Our comprehensive examination of 2903 structures across both L21 and Xa phases identifies configurations that exhibit both structural stability and superior magnetic properties. Notable among these, compounds such as Co2MnSi, Co2CrGe, and Cr2VGe exhibit remarkable magnetic stability, maintaining their ferromagnetic properties well above room temperature. Co2MnSi displays a substantial magnetic moment of 5.00 μB and maintains its ferromagnetic properties up to a Curie temperature of 937 K, underscoring its suitability for high-temperature applications. Similarly, Co2CrGe, with a magnetic moment of 4.00 μB, transitions to a paramagnetic state at a higher temperature of 952 K, demonstrating enhanced thermal durability. Moreover, Cr2VGe, notable for its robust magnetic moment of 2.81 μB, retains its ferromagnetic characteristics until an exceptional 2412 K, making it extremely valuable for thermally intensive environments. These findings underscore the potential of these materials in developing durable and efficient spintronic devices that operate under extreme thermal conditions. By mapping the interplay between electronic structure and magnetic properties, our study provides a predictive framework for optimizing the performance of spintronic materials.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142098190","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}

引用次数: 0

Giant spin seebeck effect with highly polarized spin current generation and piezoelectricity in flexible V2SeTeO altermagnet at room temperature 室温下柔性 V2SeTeO 改性磁体中具有高度极化自旋电流生成和压电性的巨自旋塞贝克效应

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101539

{"title":"Giant spin seebeck effect with highly polarized spin current generation and piezoelectricity in flexible V2SeTeO altermagnet at room temperature","authors":"","doi":"10.1016/j.mtphys.2024.101539","DOIUrl":"10.1016/j.mtphys.2024.101539","url":null,"abstract":"<div>Studies on altermagnetic materials are attracting extensive research efforts owing to their directional dependent spin split band structure. However, it is rare to find reports on the possibility of multifunctionality in altermagnetic systems. Here, we explore the spin dependent transport properties and piezoelectricity of two-dimensional V2SeTeO altermagnet. The V2SeTeO system has a direct band gap of 0.32 eV with a Neel temperature of 510 K. We find a giant effective Seebeck coefficient of 0.64 mV/K at 300 K. This is several times larger than that found in bulk and other two-dimensional materials. Moreover, the effective Seebeck effect is entirely determined by either only spin-up or spin-down component. This feature implies that we can generate highly spin polarized current by temperature gradient at room temperature. We attribute this pure spin current generation to the directional dependent spin split band structure. Along with the spin dependent transport properties, we also find that the Janus V2SeTeO altermagnet shows outstanding flexibility and piezoelectric response with out-of-plane piezoelectric coefficient of <math><mrow><msub><mi>d</mi><mn>31</mn></msub><mo>=</mo><mn>0.245</mn><mspace></mspace><mtext>pm</mtext><mo>/</mo><mi>V</mi><mtext>.</mtext></mrow></math> Overall, we propose that the V2SeTeO altermagnet system exhibits multifunctional physical properties at room temperature, and this can be utilized for potential spintronics and flexible piezoelectric applications simultaneously.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149761","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}

引用次数: 0

Dual center luminescence properties of LiGaAl4O8:Cr3+ near infrared phosphors for LED applications 用于 LED 应用的 LiGaAl4O8:Cr3+ 近红外荧光粉的双中心发光特性

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101540

{"title":"Dual center luminescence properties of LiGaAl4O8:Cr3+ near infrared phosphors for LED applications","authors":"","doi":"10.1016/j.mtphys.2024.101540","DOIUrl":"10.1016/j.mtphys.2024.101540","url":null,"abstract":"<div>Near-infrared (NIR) phosphor-converted light emitting diodes (NIR pc-LEDs) hold great promise for applications in night vision imaging, nondestructive analysis, and plant growth. Although some NIR phosphors have been developed in recent years, there are fewer studies on Cr3+-doped multisite luminescent phosphors. Here, we report a novel LiGaAl4O8:xCr3+ (LGAO:Cr3+) phosphors with double Cr3+ luminescence centers. At low doping concentration, LGAO:Cr3+ is dominated by the emission of Cr1. With the increase of doping concentration x, the Cr2 portion of emission intensity increases due to the increased probability of the energy transfer from Cr1 to Cr2. Finally, using the LGAO:0.02Cr3+ NIR phosphor and a commercial 410 nm chip, a NIR pc-LED prototype with a NIR output power of 43.7 mW at 100 mA drive current and a photovoltaic conversion efficiency of 19.2 % at 10 mA was fabricated and its application in visual inspection of precise devices and angiography was demonstrated. This work provides an in-depth and careful study of the luminescent mechanism of the dual-centerd NIR phosphor and serves as a good paradigm for the development of NIR pc-LEDs.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142098189","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}

引用次数: 0

A novel non-invasive method for measuring the spatial kinematic behavior of cardiomyocytes regulated by mechanical cues 测量受机械线索调控的心肌细胞空间运动行为的新型非侵入式方法

IF 1 2区材料科学

Materials Today Physics Pub Date : 2024-09-01 DOI: 10.1016/j.mtphys.2024.101543

{"title":"A novel non-invasive method for measuring the spatial kinematic behavior of cardiomyocytes regulated by mechanical cues","authors":"","doi":"10.1016/j.mtphys.2024.101543","DOIUrl":"10.1016/j.mtphys.2024.101543","url":null,"abstract":"<div>The intact heart undergoes complex and multiscale mechanical remodeling processes. Measuring rhythmic spatial contraction of the myocardium is crucial for assessing mechanical durability and the ability to mount coordinated responses to pressure, electrical, and hemodynamic signals. However, current cardiomyocyte measurement platforms typically focus on action potentials and XY-plane contractions. Therefore, effective evaluation methods for studying the influence of mechanical cues on the spatial dynamic contraction of cardiomyocytes are still lacking. In this study, we developed a topographic guiding combined with an optical spatial motion tracking method to provide controllable mechanical stimulation for inducing directed contraction of cardiomyocytes and obtaining spatial motion information in vitro. We first performed a detailed investigation of cell connections and cytoskeleton orientations by combining the proposed method with immunofluorescence. Next, spatial constrictive modes, features, and key parameters of microgroove-guided cardiomyocytes were studied. Finally, the three-dimensional (3D) motions of the cardiomyocytes at different positions on the structure were compared. We found that the XY-plane contraction of cardiomyocytes typically has only one direction and shows a significant phase delay compared to the axial motion. In addition, cardiomyocytes located near the edges of the microgrooves were restricted by stronger mechanical forces, resulting in a significant height change reduction. These results provide new perspectives for structural and functional research on cardiomyocytes under long-term mechanical regulation. Overall, this study provides a highly precise and convenient method for evaluating the 3D cardiomyocyte motion under mechanical induction. This method is expected to enhance understanding of cardiomyocyte development and be useful for research on cardiac mechanics and functions.</div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142129573","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}

引用次数: 0