Materials Today Physics最新文献

{"title":"Rational design of efficient silver-based homonuclear dual-atom alloys for electrochemical nitrate reduction to ammonia via first-principles calculation and machine learning","authors":"Yuanyuan Wang,&nbsp;Chunmei Tang,&nbsp;Xiaofeng zhou,&nbsp;Ting Xiao,&nbsp;Fujian Xiong,&nbsp;Zengding Huang,&nbsp;Jun Zhao","doi":"10.1016/j.mtphys.2026.102177","DOIUrl":"10.1016/j.mtphys.2026.102177","url":null,"abstract":"<div><div>Electrochemical nitrate reduction reaction (eNO₃RR) offers a promising route for simultaneous NO₃⁻ remediation and sustainable ammonia (NH₃) production, yet its practical application is hindered by the lack of efficient and stable electrocatalysts. Herein, we systematically investigate a series of homonuclear dual-atom alloy (DAA) catalysts by embedding transition-metal (TM) dimers into an inert Ag (111) surface using density functional theory calculations. Among these candidates, Ru₂Ag and Os₂Ag exhibit outstanding eNO₃RR activity, with low limiting potentials of −0.37 and −0.21 V, respectively, together with high NH₃ selectivity and favorable formation feasibility. Constant-potential thermodynamic simulations further demonstrate their robust catalytic performance across different pH levels and applied potentials. Moreover, constant-potential slow-growth simulations based on equilibrated AIMD configurations reveal a low kinetic barrier for the potential-determining *NO hydrogenation step on representative Os₂Ag under acidic conditions. Electronic structure analyses reveal that the embedded TM dimers induce pronounced local charge redistribution and electron enrichment at the active sites. This modulation facilitates electron injection into the antibonding orbitals of *NO₃, thereby promoting *NO₃ activation through an “acceptance-donation” mechanism. Furthermore, by integrating Pearson correlation analysis with the Sure Independence Screening and Sparsifying Operator (SISSO) method, we identify a two-dimensional descriptor based on the cohesive energy and valence electron number of the TM species. Within the present dataset of Ag-based homonuclear DAAs, this descriptor captures the electron-energy coupling associated with eNO₃RR activity. Nevertheless, its universality to heteronuclear DAAs, other host metals, or different reaction environments remains to be further validated. These findings offer mechanistic insights into electronic-structure modulation in DAA catalysts and provide a focused theoretical basis for the rational exploration of Ag-based DAA catalysts for eNO₃RR to NH₃.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102177"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148651382","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":"Compensation-controlled adaptive transport and high-voltage operation in β-Ga2O3 single crystals","authors":"Huiwon Kim,&nbsp;Byeongcheol Choe,&nbsp;Gwangcheol Ji,&nbsp;Suji Im,&nbsp;Hyunkyung Lee,&nbsp;Yeongdeuk Mun,&nbsp;Hyeyun Chung,&nbsp;Min-seok Jang,&nbsp;Ho-Jun Lee,&nbsp;Hyoungjeen Jeen,&nbsp;Haeyong Kang,&nbsp;Won Jae Lee,&nbsp;Andrej Kuznetsov,&nbsp;Sungkyun Park,&nbsp;Jong Mok Ok","doi":"10.1016/j.mtphys.2026.102170","DOIUrl":"10.1016/j.mtphys.2026.102170","url":null,"abstract":"<div><div>Reliable semiconductor operation across cryogenic to high temperatures remains a fundamental challenge for space and defense electronics, as wide-bandgap semiconductors suffer from carrier freeze-out at low temperatures while narrow-bandgap systems degrade at elevated temperatures. Here, we demonstrate stable rectifying operation in <em>β</em>-Ga₂O₃ Schottky diodes and compensation-dependent transport evolution in <em>β</em>-Ga₂O₃ single crystals over a wide temperature range. Low-compensation single-crystal devices exhibit a crossover from band conduction to hopping transport while sustaining conduction down to cryogenic temperatures, and maintaining a high breakdown voltage of ∼3000 V, far exceeding the few-hundred-volt range typically reported for single-crystal <em>β</em>-Ga₂O₃ Schottky diodes. In contrast, higher-compensation samples exhibit more temperature-stable transport but lower breakdown voltages, indicating that high-voltage behavior is strongly affected by the compensation-related defect landscape together with carrier concentration and impurity/defect density. Within the low-compensation regime, we further identify Efros-Shklovskii variable-range hopping conduction under strong localization, which is highly sensitive to magnetic fields and leads to field-induced current suppression via enhanced localization. These results establish donor-acceptor compensation as a key parameter for controlling transport-regime evolution, while showing that high-voltage operation requires simultaneous consideration of compensation, carrier concentration, and impurity/defect control, thereby providing a pathway toward robust semiconductor operation under extreme temperature and field conditions.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102170"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148625070","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":"Backward mapping from target optoelectronic phenotypes to chemical genomes for the discovery of lead-free double perovskites","authors":"Nafis Ahtasum,&nbsp;Sohanur Rahman Sohan,&nbsp;Md Mostaq Ahmed Himel,&nbsp;Md Zahid Hassan,&nbsp;Muhammad Harussani Moklis,&nbsp;Md Rafiul Alam Roni","doi":"10.1016/j.mtphys.2026.102180","DOIUrl":"10.1016/j.mtphys.2026.102180","url":null,"abstract":"<div><div>The accelerated discovery of lead-free halide double perovskites (A₂BB'X₆) for optoelectronic deployment is heavily restricted by complex, non-linear trade-offs among thermodynamic phase stability, optimal band-gap alignment, and fluid carrier transport. Traditional material informatics loops function primarily as one-way forward screening arrays that evaluate pre-selected compositional spaces sequentially, often optimizing isolated parameters at high computational expense. In this work, we implement a quantitative, chemical-genome-guided discovery framework that maps target optoelectronic phenotypes backward to foundational elemental and structural descriptor “genes” to accelerate target identification. Starting from an unverified combinatorial library of 13,088 charge-balanced, lead-free compositions, we map the structural and optoelectronic landscapes using evolutionary-algorithm-optimized machine learning surrogates. The initial screening layer enforces a high-recall objective function to minimize False Negatives (Type II errors), ensuring that unique, thermodynamically metastable candidate configurations (ΔE_hᵤ_ll ≤ 25 meV atom⁻¹) survive early automated pruning. SHAP-based feature attributions decode the underlying surrogate matrices into transferable, physics-driven mixing laws and actionable design heuristics. By passing the broad space through a staged, multi-objective screening funnel followed by high-fidelity density functional theory (DFT) validations, we contract the candidate domain by over 99.9%, discovering a select cohort of exactly seven (7) thermodynamically stable endpoints: K₂BePdF₆, K₂MnCdCl₆, Rb₂TeCuBr₆, Cs₂SnGeBr₆, Cs₂GeSrBr₆, Cs₂NiBaI₆, and Cs₂AgInCl₆. Among these, the post-transition-metal anomaly Cs₂SnGeBr₆ is isolated as an elite broadband solar absorber. First-principles calculations validate that its highly dispersive s–p orbital cross-hybridization collapses the reduced carrier effective mass (μ* = 0.045m₀), while enhanced static dielectric screening (<em>ε</em>₁(0) = 7.54) suppresses the total exciton binding energy (ΔE_xβ = −10.76 meV), representing an approximate 90% reduction in excitonic drag relative to standard Cs₂AgBiBr₆ benchmarks. This work shifts lead-free perovskite exploration away from brute-force forward enumeration toward an explainable, backward-mapped targeted discovery paradigm.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102180"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148625127","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":"Interfacial rare-earth oxide-enabled X-ray-tolerant Ga2O3 MIS Schottky barrier diodes with significant reverse leakage current suppression","authors":"Ying Li,&nbsp;Yirong Fu,&nbsp;Hongru Zhan,&nbsp;Aihang Deng,&nbsp;Mingtao Long,&nbsp;Yiwen Wang,&nbsp;Yiming Wu,&nbsp;Weifeng Yang","doi":"10.1016/j.mtphys.2026.102174","DOIUrl":"10.1016/j.mtphys.2026.102174","url":null,"abstract":"<div><div>Power electronic devices operating in radiation-rich environments, such as space and nuclear facilities, require both high breakdown voltage and radiation tolerance. Gallium oxide (Ga₂O₃) offers an ultra-wide bandgap and a high critical electric field, but its electrical stability can be affected by X-ray-induced charge trapping and defect states. Here, we introduced an ultrathin rare-earth Gd₂O₃ interlayer to fabricate X-ray-tolerant Ni/Gd₂O₃/<em>β-</em>Ga₂O₃ metal-insulator-semiconductor (MIS) Schottky barrier diodes (SBDs). This interfacial engineering strategy increased the breakdown voltage from 290 V for the conventional Ni/<em>β-</em>Ga₂O₃ SBD to 1001 V for the MIS SBD while maintaining a low specific on-resistance of 2.6 mΩ cm². Remarkably, after X-ray irradiation, the Gd₂O₃-interlayer MIS SBDs exhibited stable forward characteristics and a three-order-of-magnitude suppression of reverse leakage current at −100 V, contrary to the degradation behavior observed in conventional SBDs. Frequency-dependent conductance analysis revealed that the leakage suppression originated from a reduced interface trap density rather than drift-layer carrier compensation. Temperature-dependent current–voltage analysis confirmed Poole–Frenkel emission as the dominant leakage mechanism, with the extracted emission barrier increasing from 0.73 to 1.33 eV after irradiation, indicating more difficult trap-assisted carrier emission, which also contributed to the suppressed reverse leakage current. Furthermore, the high-atomic-number rare-earth Gd₂O₃ interlayer may modify local X-ray energy deposition near the interface, which is consistent with the reduced contribution of interfacial trap states to leakage transport. These findings highlight rare-earth oxide interfacial engineering as a promising route to simultaneously achieve high breakdown capability and X-ray irradiation tolerance in Ga₂O₃ power devices for harsh-environment applications.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102174"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148625071","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":"Thermoelectric performance enhancement of Ti0.75NiSb half-Heusler alloy via Co substitution and interfacial phase regulation","authors":"Lijun Zhai,&nbsp;Feng Luo,&nbsp;Lingfang Liu,&nbsp;Xinyue Zhang,&nbsp;Jian Shi,&nbsp;Jian Wang,&nbsp;Yanli Li,&nbsp;Hongxia Liu,&nbsp;Wenjie Xie,&nbsp;Zhigang Sun","doi":"10.1016/j.mtphys.2026.102171","DOIUrl":"10.1016/j.mtphys.2026.102171","url":null,"abstract":"<div><div>The 18-electron Ti_0.75NiSb compound exhibits intrinsically low lattice thermal conductivity due to the presence of numerous Ti vacancies. However, the high carrier concentration limits further improvement of the thermoelectric performance. In this work, Co atoms are employed to substitute Ni atoms in Ti_0.75Ni_1-<em>x</em>Co_<em>x</em>Sb. The results show that Co substitution effectively tunes the valence electron count of Ti_0.75NiSb and leads to the formation of a NiSb-based metallic impurity phase, which significantly reduces the carrier concentration from 8.04 × 10²¹ cm⁻³ to 2.31 × 10²¹ cm⁻³. Consequently, the Seebeck coefficient increases significantly from −94 μV/K for the <em>x</em> = 0 sample to −189 μV/K for <em>x</em> = 0.5, while the electronic thermal conductivity drops substantially from 3.52 to 0.87 W/mK at 873 K. Meanwhile, the lattice thermal conductivity increases due to the reduced Ti vacancy concentration (to satisfy the 18-valence-electron rule) and the formation of the metallic impurity phases. Ultimately, a peak <em>zT</em> of ∼0.50 is achieved at 873 K, representing a ∼47% enhancement compared with the Ti_0.75NiSb alloy. This work demonstrates that the combination of valence electron count modulation and interface engineering is an effective strategy to optimize the thermoelectric performance of half-Heusler systems.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"66 ","pages":"Article 102171"},"PeriodicalIF":9.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148460255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual-continuous graphene foam/poly(aryl ether ketone) composites with three-dimensional conductive networks for exceptional thermal conductivity and multifunctional performance","authors":"Xuesong Li,&nbsp;Haikun Zhu,&nbsp;Jingyi Kang,&nbsp;Jianxin Mu","doi":"10.1016/j.mtphys.2026.102135","DOIUrl":"10.1016/j.mtphys.2026.102135","url":null,"abstract":"<div><div>Poly(aryl ether ketone) (PAEK)-based composites are highly desirable for thermal management in high-power electronic devices, yet their practical application is severely hindered by low intrinsic thermal conductivity and poor processability arising from high melt viscosity. Herein, we report a co-continuous composite architecture that simultaneously addresses these challenges by constructing a three-dimensional (3D) graphene foam (GF) skeleton via chemical vapor deposition using nickel foam as a template, followed by infusion of a fluorine-free phenolphthalein-based poly(aryl ether ketone) (EPEK-C) matrix pre-filled with multi-walled carbon nanotubes and graphene nanoplatelets (GnPs&amp;MWCNTs). This unique design establishes a continuous and interconnected conductive network throughout the composite, effectively avoiding filler orientation-induced defects and minimizing interfacial thermal resistance. At a filler loading of 35.82 vol%, the resulting GF-GnPs&amp;MWCNTs/EPEK-C composite exhibits outstanding in-plane and through-plane thermal conductivities of 19.9 W m⁻¹ K⁻¹ and 8.9 W m⁻¹ K⁻¹, respectively, representing enhancements of 7007% and 3078% compared to neat EPEK-C. Agari model analysis confirms the formation of a nearly ideal thermal percolating network, while Debye theory analysis reveals effective suppression of phonon scattering mechanisms. Benefiting from the highly conductive 3D graphene network, the composite also achieves an exceptional electrical conductivity of 1.68 × 10⁴ S m⁻¹ and an electromagnetic interference shielding effectiveness of 51.8 dB. Power coefficient analysis reveals that reflection dominates the shielding mechanism, attributed to the three-dimensional conductive network that provides multiple reflective surfaces and induces multiple internal reflections. The specific shielding effectiveness (SSE/t) reaches 6996 dB cm²/g. Furthermore, the material demonstrates rapid and stable Joule heating (∼1600 s) and efficient photothermal conversion (efficiency∼50.99%). This work presents a high-performance multifunctional composite for integrated thermal management and electromagnetic protection, offering a promising pathway for the development of next-generation multifunctional materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"65 ","pages":"Article 102135"},"PeriodicalIF":9.7,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148186554","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":"Programmable photocatalytic CO2 reduction: Ferroelectric polarization switching for on-demand reversible product selectivity on Pd SAC/In2S3 monolayer","authors":"Shuai Zhang ,&nbsp;Yangyang Xu ,&nbsp;Jiaqi Zhai ,&nbsp;Sheng Gao ,&nbsp;Fanchun Meng ,&nbsp;Yinfeng Li ,&nbsp;Jian Qi ,&nbsp;Yanzhao Wu ,&nbsp;Baochen Han","doi":"10.1016/j.mtphys.2026.102139","DOIUrl":"10.1016/j.mtphys.2026.102139","url":null,"abstract":"<div><div>Precise regulation of reaction pathways and product selectivity is the long-standing core bottleneck of photocatalytic CO₂ reduction for greenhouse gas valorization. Conventional photocatalysts with static active sites are locked into fixed reaction pathways once synthesized, failing to meet the on-demand product switching demand in complex CO₂ reduction reaction (CO₂RR) networks. Herein, we systematically investigate the regulation of ferroelectric polarization direction on the electronic structure and CO₂RR performance of Pd single-atom active sites via first-principles calculations based on the room-temperature ferroelectric α-In₂S₃ monolayer. We reveal that the intrinsic ferroelectric polarization promotes the photogenerated carrier separation and, dynamically tunes the d-band center and charge state of Pd active centers. This modulation optimizes the adsorption of key intermediates and reduces the energy barrier of the rate-determining step (RDS) by 0.68 eV. More importantly, polarization reversal realizes the fully reversible switching of CO₂ initial hydrogenation pathways between ∗HCOO and ∗COOH, thus achieving on-demand selective generation of C1 products including HCOOH, CO, CH₃OH and CH₄. Meanwhile, the activity of the competitive hydrogen evolution reaction (HER) can be synchronously tuned to optimize CO₂RR selectivity. This work breaks the traditional paradigm of static catalyst design, establishes a complete theoretical framework for programmable photocatalysis, and provides solid theoretical guidance for next-generation tunable CO₂ conversion systems.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"65 ","pages":"Article 102139"},"PeriodicalIF":9.7,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148186872","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":"Nodal network spin gapless semiconductor: A new frontier in spintronic quantum materials","authors":"Tie Yang ,&nbsp;Jie Jian ,&nbsp;Ying Liu ,&nbsp;Xiaoming Zhang ,&nbsp;Peng Wang ,&nbsp;Hongkuan Yuan ,&nbsp;Gang Zhang ,&nbsp;Zhenxiang Cheng","doi":"10.1016/j.mtphys.2026.102137","DOIUrl":"10.1016/j.mtphys.2026.102137","url":null,"abstract":"<div><div>Recent years have witnessed remarkable progress in the independent yet parallel advancements of topological materials and spin gapless semiconductors. The convergence of topological materials and spin gapless semiconductors offers compelling prospects for quantum materials science, yet realizing candidates that simultaneously exhibit spin-polarized gapless band crossings and nontrivial topology poses formidable challenges. Here, we report the identification of a simple yet ideal spin gapless semiconducting state in calcite-structured siderite FeCO₃, wherein gapless band crossings collectively form an intricate topological nodal network spanning the Brillouin zone. Uniquely unifying spin-gapless electronic band structures with a novel topological nodal configuration, this material represents a new paradigm in spintronics. Through comprehensive symmetry analysis, high-resolution band structure mapping, and effective model construction, we elucidate the spatial distribution and dispersion characteristics of these gapless nodal configurations. Using maximally localized Wannier function-based tight-binding models, we uncover robust topological drumhead surface states emanating from the projected nodal network, which persist even under the inclusion of spin-orbit coupling. Furthermore, a systematic assessment of FeCO₃'s mechanical properties—including elastic constants, elastic anisotropy, and strain-dependent topological phase stability across a ±5% strain range—demonstrates the material's structural resilience and potential for tunability under realistic device operating conditions. This work establishes an ideal platform for the further investigation of nodal network spin gapless semiconductor physics and provides a blueprint for discovering complex topological spintronic materials.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"65 ","pages":"Article 102137"},"PeriodicalIF":9.7,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148186557","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":"Mott-Schottky heterojunction-based electrocatalysts for water electrolysis: recent advances, challenges, and perspectives","authors":"Vinh Van Tran ,&nbsp;Nguyen Tien Hoang ,&nbsp;Van-Dung Le ,&nbsp;Thuy-An Nguyen ,&nbsp;Ha Huu Do","doi":"10.1016/j.mtphys.2026.102143","DOIUrl":"10.1016/j.mtphys.2026.102143","url":null,"abstract":"<div><div>The development of efficient, stable electrocatalysts is essential to advancing water electrolysis for hydrogen production to combat climate change. In recent years, Mott−Schottky heterojunctions (M−SHs) have emerged as promising candidates for water electrolysis. These structures facilitate directional electron transport, optimize the adsorption energy of intermediates, and accelerate reaction kinetics by generating built-in electric fields at the interfaces. In this account, we provide a comprehensive overview of M−SHs and their applications in water electrolysis under various electrolyte conditions, including alkaline, urea-assisted, and seawater environments. The formation mechanisms and electronic characteristics of M−SHs are first discussed, followed by their roles in alkaline water electrolysis and urea-assisted water electrolysis. Additionally, several integrated strategies are scientifically studied for the creation of high-efficiency electrocatalysts. Moreover, we study the key issues when M−SHs operate in seawater electrolyte and at ampere-level current densities. Finally, current challenges and opportunities are discussed.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"65 ","pages":"Article 102143"},"PeriodicalIF":9.7,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148242494","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":"Enhanced comprehensive magnetic performance sintered Nd-Fe-B magnet via a novel vibration-assisted pulsed magnetic field orientation process","authors":"Bo Jiang ,&nbsp;Qiang Ma ,&nbsp;Yangyang Zhang ,&nbsp;Quanqiang Qiu ,&nbsp;Hanbin Xiong ,&nbsp;Haibo Xu ,&nbsp;Tongyun Zhao ,&nbsp;Baogen Shen","doi":"10.1016/j.mtphys.2026.102132","DOIUrl":"10.1016/j.mtphys.2026.102132","url":null,"abstract":"<div><div>Achieving high coercivity and remanence simultaneously remains a primary challenge in the development of high comprehensive magnetic performance sintered Nd-Fe-B magnets. In this paper, a novel molding process is proposed, integrating a pulsed magnetic field (maximum orientation field: 4.5 T) with high-frequency vibration during the orientation stage while eliminating the application of pressure. This innovative approach effectively preserves particle orientation integrity, leading to enhanced magnetic properties. The optimal magnetic properties with a remanence of 15.19 kGs were obtained, surpassing that (14.99 kGs) of traditional molding process magnet. X-ray diffraction (XRD) analysis confirmed a significantly improved orientation degree, with the intensity ratio <em>I</em>₍₀₀₆₎/<em>I</em>₍₁₀₅₎ increasing from 1.36 (traditional process) to 2.19 (novel process). Discrete element method (DEM) simulations revealed that the combined effects of the high-intensity pulsed magnetic field, vibration-induced uniform particle distribution, and novel molding contribute to the improved orientation. Moreover, based on this high-remanence substrate magnet, a grain boundary diffusion (GBD) magnet with a remanence of 15 kGs and a coercivity of 17.42 kOe was successfully developed. This work provides a novel strategy for future development of high comprehensive performance sintered Nd-Fe-B magnets.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"65 ","pages":"Article 102132"},"PeriodicalIF":9.7,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148186552","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}