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Advances in rubber-based piezoresistive flexible strain sensors 橡胶基压阻式柔性应变传感器的研究进展
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-28 DOI: 10.1016/j.mtphys.2025.101847
Menglin Zhu , Qinghua Liu , Jiehui Li , Yuhang Gao , Jin Zhang , Mengge Cao , Xiao Wei , Cai-Li Sun , Jinmei He , Mengnan Qu
{"title":"Advances in rubber-based piezoresistive flexible strain sensors","authors":"Menglin Zhu ,&nbsp;Qinghua Liu ,&nbsp;Jiehui Li ,&nbsp;Yuhang Gao ,&nbsp;Jin Zhang ,&nbsp;Mengge Cao ,&nbsp;Xiao Wei ,&nbsp;Cai-Li Sun ,&nbsp;Jinmei He ,&nbsp;Mengnan Qu","doi":"10.1016/j.mtphys.2025.101847","DOIUrl":"10.1016/j.mtphys.2025.101847","url":null,"abstract":"<div><div>With the rapid development of science and technology, flexible strain sensors have attracted widespread attention in various fields such as electronic skin and healthcare due to their excellent sensitivity. Among them, rubber materials are considered ideal for stretchable electronic devices due to their flexibility. This paper primarily introduces rubber-based flexible strain sensors, outlining their sensing mechanisms and key performance parameters. This paper innovatively selects rubber materials with different characteristics as flexible substrates. Through systematic experimental comparisons and theoretical analyses, it deeply explores the influence and advantages of different rubber substrates on key performance indicators such as the sensitivity, working range, and long-term stability of piezoresistive flexible strain sensors, and proposes targeted optimization strategies. Rubber is mainly categorized into natural rubber and synthetic rubber. Natural rubber, owing to its good elasticity, low cost, and good biocompatibility, has promoted the green development of electronic devices. For instance, the NR/N-BP/NR sandwich strain sensor exhibits ultra-high sensitivity (GF = 2280) and a wide operating range of up to 500 %. Synthetic rubbers, including silicone rubber, nitrile butadiene rubber, and styrene butadiene rubber, have demonstrated great potential in the fabrication of flexible strain sensors due to their resistance to chemicals, heat, and wear. For example, the bilayer strain sensor fabricated from CB and PDMS demonstrates long-term stability over 10,000 loading-unloading cycle tests. The specific applications of these sensors in fields such as human motion detection, health management, and human-machine interfaces are also reviewed. Finally, the challenges faced by rubber-based flexible strain sensors are discussed, and prospects for enhancing their sensing performance and durability under extreme environmental conditions are anticipated.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101847"},"PeriodicalIF":9.7,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144911212","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
Stepwise regulating the work function of Ti3C2Tx MXene by charge transfer doping scheme for optoelectronic applications 光电应用中的电荷转移掺杂方案逐步调节Ti3C2Tx MXene的功函数
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-27 DOI: 10.1016/j.mtphys.2025.101849
Chao Xie , Shijie Xu , Yu Cheng , Xisheng Cui , Liangpan Yang , Ranyun Wu , Wenhua Yang , Zhixiang Huang
{"title":"Stepwise regulating the work function of Ti3C2Tx MXene by charge transfer doping scheme for optoelectronic applications","authors":"Chao Xie ,&nbsp;Shijie Xu ,&nbsp;Yu Cheng ,&nbsp;Xisheng Cui ,&nbsp;Liangpan Yang ,&nbsp;Ranyun Wu ,&nbsp;Wenhua Yang ,&nbsp;Zhixiang Huang","doi":"10.1016/j.mtphys.2025.101849","DOIUrl":"10.1016/j.mtphys.2025.101849","url":null,"abstract":"<div><div>MXenes have inspired growing exploration fervor for the charming and adjustable material features. Regulating their work function is urgently desired for developing MXene-based electronic and optoelectronic devices. Nonetheless, the surface termination-related material properties of MXenes make it rather challenging to discretely tune the work function without altering other fundamental material characteristics. Here, we report a simple solution-processed method to progressively tune the work function of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene by exceeding 600 meV without sacrificing its other primary material properties, <em>via</em> a charge transfer doping mechanism. The underlying reason is attributed to the spontaneous electron withdrawing from MXene to the blended MoO<sub>3</sub> nanodots, which increase the hole concentration and consequently raises the work function of MXene, as also revealed by density functional theory calculations. The technique also holds other superiorities including suitability for MXene films of diverse thicknesses, sufficient adjustment latitude, excellent doping stability, and environmental friendliness. As a demonstration, the doping scheme significantly improves the performance of MXene/Si heterostructure-based photodetectors, rendering enhanced responsivity and specific detectivity from 110.2 mAW<sup>−1</sup> to 2.61 × 10<sup>11</sup> Jones to 494.9 mAW<sup>−1</sup> and 1.06 × 10<sup>13</sup> Jones, respectively. The proposed technique not only offers a facile avenue for tuning the work function of MXenes towards electronic/optoelectronic applications, but also helps expand the application range of MXenes.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101849"},"PeriodicalIF":9.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144906390","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
In-plane Moiré effect for boosting near-field radiative heat transfer 促进近场辐射换热的面内莫尔效应
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-26 DOI: 10.1016/j.mtphys.2025.101846
Gui-Cheng Cui , Cheng-Long Zhou , Yong Zhang , Hong-Liang Yi
{"title":"In-plane Moiré effect for boosting near-field radiative heat transfer","authors":"Gui-Cheng Cui ,&nbsp;Cheng-Long Zhou ,&nbsp;Yong Zhang ,&nbsp;Hong-Liang Yi","doi":"10.1016/j.mtphys.2025.101846","DOIUrl":"10.1016/j.mtphys.2025.101846","url":null,"abstract":"<div><div>We present a novel in-plane Moiré effects based on monolayer 1D MoO<sub>3</sub> gratings. By aligning the crystal axes of adjacent gratings orthogonally, the in-plane hybridization of hyperbolic and elliptical phonon polaritons in a single material is achieved to enhance near-field radiative heat transfer. Using rigorous coupled-wave analysis and finite element simulations, the reflection/transmission coefficients and near-field radiative heat flux are calculated. Results demonstrate that the hyperbolic-elliptical hybridized phonon polaritons (HE-HyPhPs) overcome intrinsic Reststrahlen band constraints, establishing efficient broadband energy transport channels that significantly boost heat flux. Furthermore, the hybridized mode is precisely tunable via geometric parameters. This approach provides new insights and theoretical support for designing high performance near-field thermal management devices.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101846"},"PeriodicalIF":9.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144899971","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
Vacancy order–disorder transition and band convergence in HfRu1.5Sb: A first-principles study HfRu1.5Sb中空位有序-无序跃迁和能带收敛的第一性原理研究
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-26 DOI: 10.1016/j.mtphys.2025.101848
Ying Li , Guangyao Li , Xiaoxin Xu , Xiaofang Peng , Shihua Tan , Yabei Wu
{"title":"Vacancy order–disorder transition and band convergence in HfRu1.5Sb: A first-principles study","authors":"Ying Li ,&nbsp;Guangyao Li ,&nbsp;Xiaoxin Xu ,&nbsp;Xiaofang Peng ,&nbsp;Shihua Tan ,&nbsp;Yabei Wu","doi":"10.1016/j.mtphys.2025.101848","DOIUrl":"10.1016/j.mtphys.2025.101848","url":null,"abstract":"<div><div>The discovery of vacancy-driven short-range order in the half-Heusler-like HfRu<sub>1.5</sub>Sb is reported, along with its quantified impact on the electronic structure. By integrating density-functional total energies with cluster expansion and large-cell Monte-Carlo annealing simulation, it was found that the order-disorder phase transition occurred at 1100K, which is consistent with the experimental 1170K. And two nearly degenerate ground-state configurations (GS1 and GS2) are identified at room temperature, distinguished by the spatial arrangement of Ru vacancies on the 4d sub-lattice. Although short-range order parameters reveal similar ordering tendencies in both GS1 and GS2, it is specifically in GS2 that Ru vacancies form tetrahedral configurations encapsulating Hf atoms, thereby weakening adjacent Hf–Ru bonding interaction. These tetrahedral motifs introduce additional valence band valleys, whose weight scales with the degree of disordering, enhancing the band convergence effects. This study systematically reveals the formation mechanism of the order-disorder transition of vacancies in HfRu<sub>1+x</sub>Sb and its effect on the electronic structure, providing theoretical guidance for optimizing thermoelectric performance and designing advanced half-Heusler-like materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101848"},"PeriodicalIF":9.7,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144899972","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
Feature engineering via sure independence screening sparifying operator and sparrow search algorithm optimized artificial neural network reveals hardness descriptors for (Nb-Ti-V-Zr)C ceramics 特征工程通过确定独立筛选细化算子和麻雀搜索算法优化人工神经网络,揭示了(Nb-Ti-V-Zr)C陶瓷的硬度描述符
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-22 DOI: 10.1016/j.mtphys.2025.101841
Zhihao Huang , Haoyu Wang , Chong Li , Jingchuan Zhu
{"title":"Feature engineering via sure independence screening sparifying operator and sparrow search algorithm optimized artificial neural network reveals hardness descriptors for (Nb-Ti-V-Zr)C ceramics","authors":"Zhihao Huang ,&nbsp;Haoyu Wang ,&nbsp;Chong Li ,&nbsp;Jingchuan Zhu","doi":"10.1016/j.mtphys.2025.101841","DOIUrl":"10.1016/j.mtphys.2025.101841","url":null,"abstract":"<div><div>Replacing Nb by other rare metals M (M = V, Ti, W, Mo …) elements to vary the constituents of (Nb,M)C particle for surface modification has been an effective strategy to improve the wear resistance properties of engineering materials. However, due to the extensive X available solute contents and compositions, developing (Nb,M)C is still challenging. Herein, we tried to design quaternary Nb-based ceramics with multiple components including common elements for solid solution: Ti, V and Zr. With a combination of machine learning and virtual crystal approximation scheme, compositional space of predicted hardness for (Nb-Ti-V-Zr)C ceramics was constructed. A novel physical optimization algorithm named sparrow search algorithm (SSA) was first applied to optimize the input parameters including weight values and neuron threshold of back propagation neural network (BPNN). The hardness values of the predicted potential candidates with high hardness from the SSA-BPNN and first principles calculations are close, suggesting high predictive accuracy and good performance of the well-trained SSA-BPNN model. We further discussed the feature importance via introducing approaches from feature engineering including feature filter, feature dimension reduction and feature stability selection methods, and four features that contribute the most to hardness among the features were obtained. We also performed new feature construction by sure independence sparifying screening operator (SISSO) modelling, which was regarded as a more complicated pre-processing method, and two novel features were proposed based on the selected four features with the most significant feature importance.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101841"},"PeriodicalIF":9.7,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144899973","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
Experimental realization of phoxonic topological insulators 光子拓扑绝缘子的实验实现
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-21 DOI: 10.1016/j.mtphys.2025.101844
Yafeng Chen , Shanjun Liang , Yuting Yang , Shiyu Liu , Zhihao Lan , Zhongqing Su , Jie Zhu
{"title":"Experimental realization of phoxonic topological insulators","authors":"Yafeng Chen ,&nbsp;Shanjun Liang ,&nbsp;Yuting Yang ,&nbsp;Shiyu Liu ,&nbsp;Zhihao Lan ,&nbsp;Zhongqing Su ,&nbsp;Jie Zhu","doi":"10.1016/j.mtphys.2025.101844","DOIUrl":"10.1016/j.mtphys.2025.101844","url":null,"abstract":"<div><div>Phoxonic topological insulators (PTIs), integrating the properties of phononic and photonic topological insulators, offer a reliable platform for concurrently managing sound and light. However, experimental realizations of PTIs have yet to be achieved. Here, we develop a glide-symmetric PTI that supports dual-band gapless phononic and photonic interface states, with experimental validation of their coexistence. Furthermore, we design a second-order PTI that supports both phononic and photonic corner states, which are also confirmed experimentally. The developed PTIs provide a platform for topologically protected optoacoustic systems, enabling the simultaneous control of sound and light while unlocking new opportunities to probe their interactions.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101844"},"PeriodicalIF":9.7,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144893396","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 generalized epitaxy recipe for ternary van der Waals AB2X4 single crystalline thin films 三元范德华AB2X4单晶薄膜的广义外延配方
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-21 DOI: 10.1016/j.mtphys.2025.101834
Yujie Ouyang , Chunxia Li , Haoran Ge , Weixiao Lin , Tingting Su , Qiwei Tong , Jiangfan Luo , Fan Yan , Zhuo Chen , Dawen Jiang , Xisheng Yang , Yong Liu , Yan Zhao , Siqi Huo , Min Hong , Qingjie Zhang , Wei Liu , Xinfeng Tang
{"title":"A generalized epitaxy recipe for ternary van der Waals AB2X4 single crystalline thin films","authors":"Yujie Ouyang ,&nbsp;Chunxia Li ,&nbsp;Haoran Ge ,&nbsp;Weixiao Lin ,&nbsp;Tingting Su ,&nbsp;Qiwei Tong ,&nbsp;Jiangfan Luo ,&nbsp;Fan Yan ,&nbsp;Zhuo Chen ,&nbsp;Dawen Jiang ,&nbsp;Xisheng Yang ,&nbsp;Yong Liu ,&nbsp;Yan Zhao ,&nbsp;Siqi Huo ,&nbsp;Min Hong ,&nbsp;Qingjie Zhang ,&nbsp;Wei Liu ,&nbsp;Xinfeng Tang","doi":"10.1016/j.mtphys.2025.101834","DOIUrl":"10.1016/j.mtphys.2025.101834","url":null,"abstract":"<div><div>Two-dimensional van der Waals (vdW) ternary AB<sub>2</sub>X<sub>4</sub> thin films have shown great potential in fields such as quantum transport, thermoelectrics, phase-change memory and spintronics. However, it is challenging to fabricate high-quality, phase-pure vdW ternary AB<sub>2</sub>X<sub>4</sub> (000<em>l</em>) thin films, due to the difficulty of precise control over three elemental components and the complex growth kinetic conditions. Herein, we developed a general epitaxy recipe for engineering the growth kinetics of AB<sub>2</sub>X<sub>4</sub> (000<em>l</em>) thin films to precisely control the stoichiometry and avoid binary impurities. Taking MnSb<sub>2</sub>Te<sub>4</sub> (000<em>l</em>) as the typical example, we successfully demonstrated the fabrication of high-quality, phase-pure AB<sub>2</sub>X<sub>4</sub> (000<em>l</em>) thin films with size of 10 × 10 mm<sup>2</sup> by molecular beam epitaxy technique, achieving excellent reproducibility. The stoichiometry of MnSb<sub>2</sub>Te<sub>4</sub> thin films could be effectively controlled by rationally tuning growth parameters. Moreover, the stable growth of MnSb<sub>2</sub>Te<sub>4</sub> thin films was successfully achieved through substrate surface engineering, appropriate buffer layers, and layer-by-layer annealing processes. The established epitaxy was successfully applied to the large-area fabrication of five other AB<sub>2</sub>X<sub>4</sub> (000<em>l</em>) thin films, which lays an important foundation for the controllable fabrication and application of complex vdW ternary thin films.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101834"},"PeriodicalIF":9.7,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144894811","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
Molecular beam epitaxy of quasi-1D α-Bi4Br4 nanoribbon/NbSe2 heterostructures 准一维α-Bi4Br4纳米带/NbSe2异质结构的分子束外延
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-20 DOI: 10.1016/j.mtphys.2025.101842
Shiqi Xu , Yongkai Li , Xu Zhang , Chunpan Zhang , Yina Dong , Jiangyue Bai , Haizhen Gao , Nan Cheng , Chishumeng Zhao , Liyuan Zhao , Junfeng Han
{"title":"Molecular beam epitaxy of quasi-1D α-Bi4Br4 nanoribbon/NbSe2 heterostructures","authors":"Shiqi Xu ,&nbsp;Yongkai Li ,&nbsp;Xu Zhang ,&nbsp;Chunpan Zhang ,&nbsp;Yina Dong ,&nbsp;Jiangyue Bai ,&nbsp;Haizhen Gao ,&nbsp;Nan Cheng ,&nbsp;Chishumeng Zhao ,&nbsp;Liyuan Zhao ,&nbsp;Junfeng Han","doi":"10.1016/j.mtphys.2025.101842","DOIUrl":"10.1016/j.mtphys.2025.101842","url":null,"abstract":"<div><div>Topological insulator/superconductor heterostructures provide an important platform for realizing Majorana fermions and topological quantum computation. However, there is a notable lack of studies on one-dimensional (1D) topological superconducting edge states. In this study, we employed molecular beam epitaxy to achieve controlled van der Waals epitaxial growth of quasi-1D α-Bi<sub>4</sub>Br<sub>4</sub> nanoribbons on superconducting NbSe<sub>2</sub> substrates. Through comparison of two growth techniques—co-evaporation and two-step growth methods, we revealed the nanoribbon growth mechanisms and achieved high-quality nanoribbons with high crystallinity and uniform distribution. X-ray diffraction and photoelectron spectroscopy confirmed the (00l)-oriented growth of nanoribbons, while Raman spectroscopy verified the heterostructure formation. Notably, by precisely tuning growth parameters, we achieved controlled preparation of nanoribbons with varying thicknesses, laying a solid material foundation for investigating dimension-dependent topological properties in this system. Moreover, atomic force microscopy-infrared spectroscopy measurements revealed edge-localized optical absorption below the bulk bandgap (∼250 meV), providing experimental evidence for the existence of edge states. This work establishes an ideal platform for investigating 1D topological superconducting states and Majorana states, advancing prospects for topological quantum devices and computation.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101842"},"PeriodicalIF":9.7,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144904651","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
Recent progress in Zeolitic Imidazolate Frameworks for gas separation: Insights from theory, experiment, and process design 沸石咪唑盐气体分离框架的最新进展:来自理论、实验和工艺设计的见解
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-20 DOI: 10.1016/j.mtphys.2025.101840
Muhammad Shoaib Tahir , Han-Yeol Park , Iqra Kainat , Yun-Jae Han , Minsung Kim , Young-Soo Seo
{"title":"Recent progress in Zeolitic Imidazolate Frameworks for gas separation: Insights from theory, experiment, and process design","authors":"Muhammad Shoaib Tahir ,&nbsp;Han-Yeol Park ,&nbsp;Iqra Kainat ,&nbsp;Yun-Jae Han ,&nbsp;Minsung Kim ,&nbsp;Young-Soo Seo","doi":"10.1016/j.mtphys.2025.101840","DOIUrl":"10.1016/j.mtphys.2025.101840","url":null,"abstract":"<div><div>Zeolitic Imidazolate Frameworks (ZIFs) are the structurally versatile class of metal-organic framework materials that have demonstrated strong potential in gas separation, particularly for hydrogen (H<sub>2</sub>) and carbon dioxide (CO<sub>2</sub>). This review critically evaluates their intrinsic separation performance by examining how pore topology, aperture size, framework rigidity, and functional group chemistry influence gas transport and selectivity. Both crystalline and amorphous ZIFs are discussed, with recent experimental data and theoretical simulations integrated to uncover the molecular-level mechanisms of diffusion and adsorption. Particular attention is given to the role of framework flexibility, defect formation, and polarity in controlling separation behavior. Challenges related to large-scale membrane fabrication, interfacial compatibility, and long-term stability under realistic operating conditions are thoroughly analyzed. In addition, the emerging role of artificial intelligence is explored for material screening and as a tool for optimizing synthesis protocols and processing workflows. This review links structural design with process scalability to inform future development of ZIF membranes for industrial gas separations.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"57 ","pages":"Article 101840"},"PeriodicalIF":9.7,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144887136","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
Thermal management and phonon transport in BAs/WSe2 heterostructure: First-principles insights for optoelectronic applications BAs/WSe2异质结构中的热管理和声子输运:光电应用的第一性原理见解
IF 9.7 2区 材料科学
Materials Today Physics Pub Date : 2025-08-19 DOI: 10.1016/j.mtphys.2025.101843
Yue Guan , Dandan Zhao , Dongyang Li , Lin Zhang
{"title":"Thermal management and phonon transport in BAs/WSe2 heterostructure: First-principles insights for optoelectronic applications","authors":"Yue Guan ,&nbsp;Dandan Zhao ,&nbsp;Dongyang Li ,&nbsp;Lin Zhang","doi":"10.1016/j.mtphys.2025.101843","DOIUrl":"10.1016/j.mtphys.2025.101843","url":null,"abstract":"<div><div>Understanding the thermal management of van der Waals (vdW) heterostructures is vital for their implementation in optoelectronic applications. In this work, we systematically investigate lattice dynamics related to thermal properties and phonon transport behaviors of a two-dimensional BAs/WSe<sub>2</sub> heterostructure using first-principles calculations combined with phonon and thermal transport analysis. Phonon dispersion spectrum reveals strong anharmonicity and low-frequency optical–acoustic coupling, contributing to significant lattice softening and thermally activated phonon modes. Heat capacity analysis shows a distinct volume-dependent increase and temperature saturation trend, reflecting the full excitation of low-energy phonons at elevated temperatures. The thermal conductivity exhibits a strong temperature dependence, decreasing from 27 W/mK at 100 K to 2.5 W/mK at 1000 K, primarily due to phonon–phonon scattering. The cumulative thermal conductivity confirms that more than 90 % of heat is carried by phonons with mean free path (MFP) &lt; 10 nm. Moreover, low-frequency optical phonons with extended lifetimes and large group velocities, enabled by acoustic–optical coupling, contribute significantly to thermal transport. These findings reveal that the BAs/WSe<sub>2</sub> heterostructure provides both efficient in-plane thermal conduction and localized heat dissipation, making it a promising candidate for thermally stable photodetectors and emitter devices.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"58 ","pages":"Article 101843"},"PeriodicalIF":9.7,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019790","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
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