Materials Today Physics最新文献

{"title":"Outstanding two-photon absorption at covalent organic frameworks via Dirac points transitions","authors":"Yanhui Sun ,&nbsp;Yang Zhao ,&nbsp;Yuxuan Xiao ,&nbsp;Hui Li ,&nbsp;Miao He ,&nbsp;Danil W. Boukhvalov ,&nbsp;Mark G. Humphrey ,&nbsp;Chi Zhang ,&nbsp;Zhipeng Huang","doi":"10.1016/j.mtphys.2025.101805","DOIUrl":"10.1016/j.mtphys.2025.101805","url":null,"abstract":"<div><div>Discovering new means to increase two-photon absorption (TPA) and simultaneously achieve large TPA coefficients and substantial modulation depth is highly desirable, yet remains exceptionally challenging. We demonstrate in this study the first use of the hotspot effect of Dirac points to significantly enhance TPA in three covalent organic frameworks (COFs): TpPa, TpBD, and TpDT. These COFs exhibit TPA with 35 fs laser excitation in the wavelength range 600–1030 nm. TpBD shows the largest TPA coefficient ((5.5 ± 0.18) × 10³ cm GW⁻¹), a substantial modulation depth (&gt;50 %), and a low optical limiting threshold (1.66 mJ cm⁻²). The TPA coefficients of the three COFs are comparable to those of single- or few-layer two-dimensional inorganic nanosheets, but the COFs exhibit much larger modulation depths. Spectral analysis and theoretical calculations reveal the crucial contribution to the TPA of band coupling at the Dirac points, and TPA occurring through a channel involving more hotspots (Dirac points) has a higher probability. Our discoveries establish Dirac point enhancement as an effective mechanism for propelling TPA to new frontiers, introducing a category of high-performance nonlinear optical materials for future optical technologies.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101805"},"PeriodicalIF":10.0,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144652417","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":"Thermodynamic characterization of RE2Ti2O7 (RE = Ho, Er, Tm and Yb) ceramics as thermal barrier coating materials","authors":"Zhixin Gao ,&nbsp;Shuai Fu ,&nbsp;Lei Zhang ,&nbsp;Detian Wan ,&nbsp;Yiwang Bao","doi":"10.1016/j.mtphys.2025.101801","DOIUrl":"10.1016/j.mtphys.2025.101801","url":null,"abstract":"<div><div>Several RE₂Ti₂O₇ (RE = Ho, Er, Tm, and Yb) ceramics with pyrochlore structure were prepared by a high-temperature solid-phase method, and their thermophysical properties were investigated as thermal barrier coating (TBC) facing materials. The results showed that the prepared samples maintained low thermal conductivity (1.31 W m⁻¹ K⁻¹, 1200 °C), high hardness (10.1 GPa) and high fracture toughness (2.72 MPa m^1/2). The RE₂Ti₂O₇ ceramics have good stability without phase transformation at 1350 °C for 50 h. In addition, thermal expansion coefficient of ceramics matches well with the Ni-based alloy and has good chemical compatibility with Al₂O₃. All these results indicate that the RE₂Ti₂O₇ ceramics have excellent mechanical properties and good component homogeneity, suggesting their potential application in the field of TBCs.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101801"},"PeriodicalIF":10.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144640598","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":"Interpretable machine learning framework: Predicting catalytic activities of complex photocatalysts towards CO2 conversion","authors":"Chen-Chen Er ,&nbsp;Lutfi K. Putri ,&nbsp;Yee Sin Ang ,&nbsp;Hui Ying Yang ,&nbsp;Siang-Piao Chai","doi":"10.1016/j.mtphys.2025.101800","DOIUrl":"10.1016/j.mtphys.2025.101800","url":null,"abstract":"<div><div>The photocatalytic activity of CO₂ conversion via reduction reaction (CO₂RR) is limited by linear scaling relations of adsorption energies between intermediates. Dual-atom photocatalysts (DAPs) have been proposed to overcome this limitation and enhance catalytic efficiency. In this work, we develop an interpretable DFT-based machine learning (ML) framework to predict and rationalize the CO₂RR activity of 299 transition metal (TM)-based DAPs anchored on stoichiometric equivalent graphitic carbon nitride (gC₆N₆). Leveraging structure-sensitive (Magpie) and structure-property (Coulomb Matrix Eigenvalues) features, the AdaBoost regressor model accurately predicts the potential determining step (PDS) with R² = 0.95 and RMSE = 0.06 eV. Feature selection identified the mean electronegativity of the anchored TM atoms as the most important descriptor. The ML model highlights ScTi/gC₆N₆ and RhMo/gC₆N₆ as promising photocatalysts with limiting potentials of 0.58 eV and 0.73 eV, respectively. Further DFT calculations confirm their suitable optoelectronic properties for CO₂RR. This strategy enables accurate and interpretable predictions, potentially accelerating the discovery and design of efficient photocatalytic materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101800"},"PeriodicalIF":10.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144640595","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":"A review on electrolyte innovation enabled by machine learning for energy storage applications","authors":"Nishant Shukla ,&nbsp;Manashi Saikia ,&nbsp;Madhuryya Deka","doi":"10.1016/j.mtphys.2025.101799","DOIUrl":"10.1016/j.mtphys.2025.101799","url":null,"abstract":"<div><div>Progress in solid state energy storage technologies is essential for tackling global energy issues, with electrolytes being crucial for improving the performance, safety, and sustainability of systems such as lithium-ion batteries and next-generation electronics. This review emphasizes the transformative influence of machine learning (ML) in the investigation of electrolyte materials, encompassing liquid, solid-state, polymer, and composite electrolytes. ML enhances material discovery by utilizing computational and experimental data to create predictive models for ionic conductivity, thermal stability, and electrochemical performance, thereby diminishing dependence on resource-intensive trial-and-error approaches. Significant advancements encompass polymer informatics, which associates intricate polymer structures with functional qualities using sophisticated generative models and graph neural networks. Advanced digitization and extensive databases are fundamental to this initiative, facilitating the clarification of structure-property linkages. Furthermore, ML-based optimization of composite electrolytes and ionic liquids tackles design problems, resulting in synergistic enhancements in conductivity, mechanical strength, and stability. These improvements signify a paradigm shift, promoting accelerated innovation cycles and sustainable solutions. This review emphasizes the significance of resilient data ecosystems, interdisciplinary cooperation, and advanced informatics tools in influencing the development of electrolyte materials and energy storage technologies.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101799"},"PeriodicalIF":10.0,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144640594","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":"Mechanisms and design principles for optimizing lattice thermal conductivity in chalcogenides: A comprehensive review","authors":"Surabhi Suresh Nair,&nbsp;Nirpendra Singh","doi":"10.1016/j.mtphys.2025.101785","DOIUrl":"10.1016/j.mtphys.2025.101785","url":null,"abstract":"<div><div>The thermal transport coefficients, especially the lattice thermal conductivity of a material, are crucial in optimizing thermoelectric efficiency and play a significant role in designing future thermoelectric devices. The lattice thermal conductivity (<span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span>) depends on various factors, including complex lattice configuration and disorder, chemical bonding, anharmonicity, and topological behavior of phonons. Heavy rattling atoms in a unit cell impact heat propagation due to small phonon mean free path, boundary scattering, and anharmonic scattering. In addition, the structural modification through ripples, strain, and local distortions can increase phonon scattering. The disorder and dislocations disrupt phonon propagation, while strain manipulates acoustic phonon scattering. Lone pairs and unusual chemical bonding induce lattice softening and localized phonon vibrations that significantly impede phonon transport. The localization and delocalization of charge carriers through antibonding interactions result in ultralow <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>l</mi></mrow></msub></math></span> without compromising electron transport properties. The forbidden phonon band gap is another crucial factor that alters the phonon phase space for acoustic-optical interactions, restricting the three-phonon scattering process and emphasizing the vital role of higher-order anharmonic interactions. The emerging concept of the topological behavior (band inversion, Weyl phonon, and nodal lines) of phonons serves as an additional degree of freedom in determining the thermal transport of chalcogenides. Topological phonon points can enhance group velocity through steep linear dispersions or reduce it via flat bands while simultaneously modulating scattering rates due to high phonon density near nodal features. This review integrates experimental and computational insights behind various strategies for chalcogenides, making them future materials for next-generation thermoelectric devices and thermal applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101785"},"PeriodicalIF":10.0,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144630151","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":"Tunable topological phase in 2D ScV6Sn6 kagome material","authors":"Chidiebere I. Nwaogbo ,&nbsp;Sanjib K. Das ,&nbsp;Chinedu E. Ekuma","doi":"10.1016/j.mtphys.2025.101780","DOIUrl":"10.1016/j.mtphys.2025.101780","url":null,"abstract":"<div><div>We investigate the topological properties of the vanadium-based 2D kagome metal ScV<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>Sn<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>, a ferromagnetic material with a magnetic moment of 0.86 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> per atom. Using <em>ab initio</em> methods, we explore spin–orbit coupling-induced gapped states and identify multiple Weyl-like crossings around the Fermi energy, confirming a Chern number <span><math><mrow><mrow><mo>|</mo><mi>C</mi><mo>|</mo></mrow><mo>=</mo><mn>1</mn></mrow></math></span> and a large anomalous Hall effect (AHE) of 257 <span><math><msup><mrow><mi>Ω</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>cm⁻¹. Our calculations reveal a transition from a topological semimetal to a trivial metallic phase at an electric field strength of <span><math><mo>≈</mo></math></span>0.40 eV/Å. These findings position 2D ScV<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span>Sn<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> as a promising candidate for applications in modern electronic devices, with its tunable topological phases offering the potential for future innovations in quantum computing and material design.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101780"},"PeriodicalIF":10.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144611034","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":"Charge localization induced tunable thermopower in ZnSb intercalated polyaniline:CSA flexible films","authors":"Anmol Sharma ,&nbsp;Nagendra Singh Chauhan ,&nbsp;Masako Nishimagi ,&nbsp;Takao Mori","doi":"10.1016/j.mtphys.2025.101794","DOIUrl":"10.1016/j.mtphys.2025.101794","url":null,"abstract":"<div><div>Modulating doping levels and nanofillers blending has facilitated optimization of electrical properties in polymeric nanocomposite films for thermoelectric applications. Herein we report, free-standing flexible films of PANI:CSA/ZnSb polymer nanocomposites, with varying nanofillers ZnSb ratios, to realize charge localization induced enhancement in power factor (≈10 times) and thermopower (≈6 times) within the protonated PANI:CSA. Le Bail refinement of the XRD pattern reveals lattice expansion and reoriented chain conformation in the pseudo-orthorhombic PANI structure due to ZnSb intercalation. The thermopower, enhanced to ≈50 μV/K at room temperature, was tunable due to the suppressed bipolaronic states and associated charge localization, resulting in an improved power factor of ≈10 μW/m·K². The synthesized polymeric films exhibit excellent mechanical durability, retaining ∼90 % of their electrical conductivity after 2000 bending cycles. A flexible thermoelectric generator (FTEG) fabricated using six PANI:CSA/70 wt% ZnSb films produced an output voltage of ∼0.9 mV on a human wrist and ∼6.7 mV under a temperature gradient of ∼50 K, highlighting prospects of charge localization in improving the low and smeared Seebeck response in conducting polymers like PANI and their potential for wearable thermoelectric energy harvesting applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101794"},"PeriodicalIF":10.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144611033","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":"Uncovering the origin of emission wavelength shift and anomalous intensity enhancement at elevated temperature in phosphors","authors":"Zul Qarnain ,&nbsp;Hanxiang Mi ,&nbsp;Xiyue Cheng ,&nbsp;Shijie Chen ,&nbsp;Myung-Hwan Whangbo ,&nbsp;Shuiquan Deng","doi":"10.1016/j.mtphys.2025.101795","DOIUrl":"10.1016/j.mtphys.2025.101795","url":null,"abstract":"<div><div>White light emitting diodes (LEDs) are the primary source of lighting in this modern era, but it has not been understood why their emission light becomes inconsistent with increasing temperature. To investigate the origin of this problem, we studied chloroborate phosphors, i.e., Ba₂Ln(BO₃)₂Cl:Eu²⁺ (Ln = Y, Gd, Lu), based on first-principle DFT calculations. Using the frozen phonon approach, we analysed the effect of raising temperature on the 5<em>d</em> to 4<em>f</em> transition energies of Eu²⁺ doped at a Ba1²⁺ site in a 2 × 2 × 2 supercell of Ba₂Ln(BO₃)₂Cl. Our results suggest that at high temperatures the interactions of the Eu²⁺ ion with its surrounding anions in Ba₂Ln(BO₃)₂Cl:Eu²⁺ become strong, causing the Eu²⁺ ions to vibrate more vigorously from its equilibrium position and sharply increasing the emission energy (Δ_<em>f-d</em>), which leads to a pronounced heat-induced blue shift (HIB) phenomenon in the phosphors.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101795"},"PeriodicalIF":10.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144612971","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":"Module-scale silicon 3D softened nanoarchitectures for eco-friendly thermoelectric energy harvesting","authors":"Ryohei Nagahiro ,&nbsp;Bin Xu ,&nbsp;Shingo Terashima ,&nbsp;Yifei Li ,&nbsp;Yuanzhe Li ,&nbsp;Yuxuan Liao ,&nbsp;Zhenglong Fang ,&nbsp;Cheng Shao ,&nbsp;Masato Ohnishi ,&nbsp;Shinya Kato ,&nbsp;Eiji Iwase ,&nbsp;Junichiro Shiomi","doi":"10.1016/j.mtphys.2025.101798","DOIUrl":"10.1016/j.mtphys.2025.101798","url":null,"abstract":"<div><div>Widespread of internet-of-things with wireless sensing and transmission devices require self-powering module consisting of abundant and environmental-friendly materials. Si thermoelectric material is a promising candidate and sufficient figure of merit (<span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span>) has been realized in the form of nanoscale derivatives. However, scaling it up to bulk material while maintaining the <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> has been challenging. This difficulty arises from the lack of scalable nanostructures that effectively impede phonon transport without significantly sacrificing electron transport in the bulk process, which is rooted in the intrinsic trade-off between electrical and thermal transport mechanisms. To overcome this limitation, this study introduces a scalable 3D softened nanoarchitecture by a highly non-equilibrium sintering process, featuring narrow-conduction path between nanograins, which facilitates selective electron/phonon interface transmission due to the induced significant strain. This strain engineering results in remarkable <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> values for both n- and p-type bulk 3D Si nanoarchitectures (0.11–0.23 at room temperature and 0.44–0.67 about 750 K), which are 5–10 times those of previously reported bulk nanostructured Si materials. The superior <span><math><mrow><mi>z</mi><mi>T</mi></mrow></math></span> and scalability enables integrating the Si thermoelectric materials into a flexible module and realized powering wireless sensor devices for 24 h.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101798"},"PeriodicalIF":10.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144612973","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":"Recent progress on flexible tactile sensors: From microstructural design to intelligent sensing applications","authors":"Tong Li,&nbsp;Ling-Feng Liu,&nbsp;Dan Zhang,&nbsp;Xin-Gui Tang,&nbsp;Qi-Jun Sun","doi":"10.1016/j.mtphys.2025.101793","DOIUrl":"10.1016/j.mtphys.2025.101793","url":null,"abstract":"<div><div>Recently, the rising wearable tactile sensing technology has made significant advances in personal health monitoring, rehabilitation and smart sports. Particularly, the microstructured tactile sensors with high sensitivity and fast response are becoming excellent candidates for mimicking the perception capabilities of human skin for wearable electronics. Herein, the working principles, and device construction techniques of diverse microstructured tactile sensors are firstly introduced and discussed. After that, their applications in health monitoring and smart sports are presented. Finally, the remaining challenges and potential solutions of microstructured tactile sensors are discussed. This review aims to provide valuable insights and potential innovations in this rapidly evolving field.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101793"},"PeriodicalIF":10.0,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144612972","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}