Journal of Alloys and Compounds最新文献

{"title":"Effects of Nb doping and crystal symmetry on the structural stability and mechanical properties at U-Nb twin boundaries","authors":"Xin Wen, Congyi Li, Tong Liu","doi":"10.1016/j.jallcom.2025.180200","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180200","url":null,"abstract":"Uranium is commonly alloyed with transition metals such as Nb, Zr, and Mo to improve mechanical properties and corrosion resistance. Among them, U-Nb alloys possess a well-rounded combination of mechanical properties. The unique properties of U-Nb alloys are closely related to their metastable monoclinic phase structure and twin boundary (TB) mediated deformation mechanism. Recent low-temperature U-Nb aging experiments have revealed that significant changes in strength and ductility are induced by the perturbation of solute atoms and TB microstructure at extremely fine scales (&lt;3<!-- --> <!-- -->nm). These phenomena pose challenges for conventional experimental characterization methods, limiting a fundamental understanding of the correlation between atomic-scale microstructural evolution and the degradation of mechanical behavior in U-Nb alloys. This study employed first-principles density functional theory (DFT) calculations to systematically investigate the effects of Nb doping and crystal symmetry on structural stability and mechanical properties of U-Nb {130} TBs, including surface energy, twin boundary energy, segregation energy, strengthening/embrittling energy, maximum tensile strength, and elongation. The results show that the monoclinic α’’-U {130} twin structures exhibit enhanced structural stability along with a higher propensity of twin formation compared with the orthorhombic α-U {130} twin structures. Furthermore, the α’’-U {130} twin structures demonstrate a stronger tendency for atomic segregation that promotes TB strengthening, resulting in superior tensile strength and ductility. This study provides atomic-scale theoretical evidence to elucidate the intrinsic mechanism underlying twinning-modulated mechanical behavior in U-Nb alloys.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"32 2 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758232","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 photoelectrochemical performance of Bi2WO6 via gradient doping and homojunction engineering for organic pollutant degradation","authors":"Jifan Zhang, Zhengang Guo, Hongyan Shen, Yulin Duan, Tingting Wang","doi":"10.1016/j.jallcom.2025.180217","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180217","url":null,"abstract":"Given the severe situation of environmental pollution and the potential of photoelectrochemical (PEC) technology in environmental protection, this study focuses on addressing the shortcomings of Bi₂WO₆ in PEC pollutant degradation. Specifically, issues such as severe photoregenerated electron-hole recombination and a small specific surface area are tackled through an innovative strategy combining gradient doping and surface modification. An innovative preparation method was employed to successfully synthesize the Bi₂WO₆ homojunction with gradient Fe doping and Cu element surface modification, which significantly enhances the absorption of visible light, generating more photoregenerated electron-hole pairs. Additionally, the gradient doping strategy effectively modulates the internal band structure of the material, forming a gradient potential field that facilitates carrier transport. In the Bi₂WO₆ homojunction structure, a built-in electric field is formed at the interface, further increasing the efficiency and stability of the catalytic reaction. Degradation experiments using Rhodamine B (RhB) as the target pollutant demonstrated that the Bi₂WO₆ homojunction thin film exhibits the highest degradation efficiency for RhB and maintains good stability after five cycles. Further trapping experiments revealed that holes (h⁺) and superoxide radicals (·O₂^-) are the primary active species during the degradation process. This study offers a new strategy for the development of PEC materials and provides strong support for the application of PEC technology in pollutant degradation.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"57 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766591","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":"Construction of graphene supported TiO2 nanosheet array/CdS/Ni2P composite with dual heterojunctions for boosting photocatalytic hydrogen evolution","authors":"Huan Hu, Feitai Chen, Youji Li, Jing Li, Liqin Cui, Dong Jiang, Xiao Lin, Juanfeng Gao","doi":"10.1016/j.jallcom.2025.180216","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180216","url":null,"abstract":"Graphene supported TiO₂ nanosheet array (GT) was successfully fabricated via a hydrothermal route and modified by CdS and noble-metal-free Ni₂P cocatalyst. It is found that interlaced TiO₂ nanosheets with a thickness only ca. 12.7<!-- --> <!-- -->nm are vertically grown on graphene surface, which greatly reduce the agglomeration of nanosheets and provide abundant anchoring sites for surface modification. The synthesized GT/CdS/Ni₂P (GTCN) composite exhibits superior photocatalytic hydrogen evolution rate of 1.91<!-- --> <!-- -->mmol<!-- --> <!-- -->h⁻¹ g⁻¹, which is ca. 11.7-fold higher than that of GT. Density functional theory calculation and experimental results reveal the formation of TiO₂/CdS S-scheme heterojunction and CdS/Ni₂P Schottky heterojunction in GTCN composite, and the constructed dual heterojunctions with intimate interfaces offer double transfer channels for photogenerated electrons, which effectively improved the photocatalytic reaction kinetics and facilitated the photogenerated carrier separation. This work provides insight into the design and construction of multicomponent catalysts with ideal photocatalytic performance for hydrogen evolution.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"58 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766594","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":"High Energy Storage Efficiency and Exceptional Recoverable Energy Storage Density Achieved in KNN-based Ceramics via Entropy Engineering","authors":"Yunxiang Tao, Haibo Yang, Minquan Wang, Binglong Zheng, Ying Lin","doi":"10.1016/j.jallcom.2025.180210","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180210","url":null,"abstract":"Dielectric capacitors possess significant advantages in terms of fast charge and discharge. Therefore, they are recognized as the most promising candidates for the next generation of high-performance pulsed power systems. Nevertheless, achieving ultra-high recoverable energy storage density (<em>W</em>_rec) along with ultrahigh efficiency (<em>η</em>) poses a significant challenge. This challenge hinders the miniaturization and integration of cutting-edge energy storage devices. In this study, a high-entropy strategy is utilized to construct ultrafine grains (submicron). These grains feature a compact microstructure, enhanced electrical homogeneity, a wider bandgap, and polar nanoregions (PNRs). Such properties lead to an improved breakdown strength, a delay in polarization saturation, and enhanced relaxation behavior. As a result, the KNN-0.15 ceramic exhibits a recoverable energy density value of 6.36<!-- --> <!-- -->J<strong>∙</strong>cm^-3 and an efficiency of 84% at an electric field strength of 580<!-- --> <!-- -->kV<strong>∙</strong>cm^-1. Furthermore, the ceramic capacitor showcases a power density of approximately 436.5<!-- --> <!-- -->MW<strong>∙</strong>cm^-3 and a discharge energy density of around 4.3<!-- --> <!-- -->J<strong>∙</strong>cm^-3 at 160°C. Notably, its variability remains below 3% across a broad temperature range from 20 to 160°C. These achievements are propelling the field forward, aiming to develop more practical and powerful dielectric materials for energy storage.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"25 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143766598","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":"Hydrothermal synthesis of spherical nanoflower ZnO with highly sensitive isoprene sensing performance","authors":"Baoqing Han ,&nbsp;Congsi Wang ,&nbsp;Wanying Yang ,&nbsp;Guoqiang Hu ,&nbsp;Xinyu Zhang ,&nbsp;Benben Wang ,&nbsp;Hairong Wang","doi":"10.1016/j.jallcom.2025.180176","DOIUrl":"10.1016/j.jallcom.2025.180176","url":null,"abstract":"<div><div>As a typical physiological marker, isoprene has been widely studied for its related applications in breath detection. Pure ZnO samples were prepared using the classical hydrothermal method with varying synthesis parameters. By comparing these parameters, the optimal synthesis conditions and nanostructures were determined. The prepared spherical ZnO nano-flower material (ZnO-S5 sample) exhibited a loose and porous structure. Additionally, the gas sensing sensors were prepared with ZnO-S4 and ZnO-S5 samples respectively, and their gas-sensing characteristics were analyzed comprehensively. The data indicated that spherical nano-flower ZnO sensor (ZnO-S5) exhibited an optimal operating temperature of 260 °C, and the response time is only 5 s when the isoprene concentration is 0.2 ppm. It also demonstrated good repeatability and sustained stability. Notably, even at isoprene concentrations as low as 20 ppb, the ZnO-S5 sample still had obvious response, and the response value was approximately 3.3 times that of ZnO-S4. Simultaneously, when compared with other typical biomarkers such as hydrogen, carbon monoxide, ammonia, ethanol and acetone, ZnO-S5 sample has relatively better selectivity for isoprene. Therefore, the spherical nano-flower-like ZnO sensor holds promise as a low-cost, high-performance isoprene gas detector for the rapid identification of trace isoprene.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1023 ","pages":"Article 180176"},"PeriodicalIF":5.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143745647","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":"Investigating the deformation behavior and microstructure evolution of Mg-3Zn-1Sn alloy with low activation energy of deformation during isothermal compression","authors":"Shuai Yuan, Xiaohuan Pan, Xianhua Chen","doi":"10.1016/j.jallcom.2025.180093","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180093","url":null,"abstract":"Hot compression (HC) experiments were carried out on the homogenized Mg-3Zn-1Sn (ZT31, wt.%) alloy at various deformation parameters. The results indicated that both the increase in deformation temperature (T) and the decrease in strain rate (<span><span style=\"\"><math><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><mi is=\"true\">ε</mi></mrow><mo is=\"true\">̇</mo></mover></math></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"><svg focusable=\"false\" height=\"1.971ex\" role=\"img\" style=\"vertical-align: -0.235ex;\" viewbox=\"0 -747.2 471.6 848.5\" width=\"1.095ex\" xmlns:xlink=\"http://www.w3.org/1999/xlink\"><g fill=\"currentColor\" stroke=\"currentColor\" stroke-width=\"0\" transform=\"matrix(1 0 0 -1 0 0)\"><g is=\"true\"><g is=\"true\"><g is=\"true\"><use xlink:href=\"#MJMATHI-3B5\"></use></g></g><g is=\"true\" transform=\"translate(161,-21)\"><use x=\"309\" xlink:href=\"#MJMAIN-307\" y=\"0\"></use></g></g></g></svg></span><script type=\"math/mml\"><math><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><mi is=\"true\">ε</mi></mrow><mo is=\"true\">̇</mo></mover></math></script></span>) are responsible for the significant reduction in flow stress (<span><span style=\"\"><math><mi is=\"true\">σ</mi></math></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"></span><script type=\"math/mml\"><math><mi is=\"true\">σ</mi></math></script></span>). The calculated average activation energy of deformation during the considered conditions is 124<!-- --> <!-- -->kJ/mol, which is lower than many reported Mg alloys. Meanwhile, the ZT31 alloy has an instability criterion consistently greater than 0. Therefore, it exhibits outstanding hot deformation capability. The processing map shows that ZT31 alloy is safer to process above 300 °C, while the <span><span style=\"\"><math><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><mi is=\"true\">ε</mi></mrow><mo is=\"true\">̇</mo></mover></math></span><span style=\"font-size: 90%; display: inline-block;\" tabindex=\"0\"></span><script type=\"math/mml\"><math><mover accent=\"true\" is=\"true\"><mrow is=\"true\"><mi is=\"true\">ε</mi></mrow><mo is=\"true\">̇</mo></mover></math></script></span> has a limited influence on the processability of ZT31 alloy. During the middle and late stages of deformation, the predominant deformation mechanisms of ZT31 alloy are basal slip and pyramidal &lt;c+a&gt; slip. The simultaneous activation of basal slip and pyramidal &lt;c+a&gt; slip puts the rotation of the c-axis in a dynamic balance, which ultimately manifests as the c-axis being approximately parallel to the compression direction (CD). The DRX mechanism of ZT31 alloy includes continuous DRX and discontinuous DRX.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"12 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143745644","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":"High-entropy alloy FeNiCuMnSbBi nanofibers as anode for high-performance potassium-ion capacitors","authors":"Cunliang Zhang, Zhengyuan Chen, Yifei Xu, Yanmei Liu, Lu Li, Fuqiang Song, Meng Wang, Wenjie Guo, Xiaojing Lin, Hongsen Li","doi":"10.1016/j.jallcom.2025.180190","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180190","url":null,"abstract":"Potassium-ion capacitors (PICs) have recently gotten significant interest due to their price and excellent power/energy density. Nonetheless, the advancement of PICs is hindered by a limited cycle life, which arises from the ion intercalation and deintercalation processes. Herein, a high-entropy alloy of FeNiCuMnSbBi combined with carbon-nanofibers (HEA₆/CNFs) is reported as novel electrode materials for potassium-ion storage, which exhibit favorable electrochemical properties. Experiments and characterization proved that excellent electrochemical performance of HEA₆/CNFs is the result of combined high-entropy effect and carbon-nanofibers. The active materials (Sb, Bi) participate in redox reaction, and transition metal elements (Fe, Ni, Cu, Mn) and carbon-nanofiber jointly construct the conductive skeleton and minimize the increase in volume to enhance the structural stability of material during the reaction process. Integration of activated carbon cathode and HEA₆/CNFs anode in PICs demonstrated high-power density of 10,000<!-- --> <!-- -->W<!-- --> <!-- -->kg⁻¹, an impressive energy density of 109<!-- --> <!-- -->Wh<!-- --> <!-- -->kg⁻¹ and an ultralong cycle performance with 83.6% capacity retention after 20,000 cycles at 5.0<!-- --> <!-- -->A<!-- --> <!-- -->g⁻¹. This research paves the way for the application of high entropy materials in potassium-ion capacitors.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"104 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758278","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":"Chemical interactions in Cu-Al-Mn shape-memory alloy during low- temperature aging treatment: XAS and DFT study","authors":"Zheyuan Liang, Kakeru Ninomiya, Hiroshi Akamine, Sumio Kise, Minoru Nishida, Maiko Nishibori","doi":"10.1016/j.jallcom.2025.180158","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180158","url":null,"abstract":"Low-temperature aging significantly affects the mechanical properties and martensitic transformation temperatures of Cu-Al-Mn (CAM) alloys. In this study, X-ray absorption spectroscopy (XAS) and density functional theory (DFT) were used to investigate the local order changes in a CAM shape-memory alloy during low-temperature aging treatment. The as-quenched CAM alloys were inhomogeneous, in which the average local Mn exhibited an <em>L</em>2₁-like structure and Cu predominantly occupied the first-nearest-neighbor positions around Al. Conversely, the Cu exhibited a <em>D</em>0₃-like local structure. During the 373<!-- --> <!-- -->K aging treatment, the average local Mn atoms tended to form an <em>L</em>2₁ structure, and the arrangement of Mn atoms changed in two stages: formation of Mn-rich structures and reduction during 423<!-- --> <!-- -->K aging treatment, whereas no significant change was observed for Al. Using XAS and magnetic measurements, phase separation was detected in the sample treated at 423<!-- --> <!-- -->K for 120<!-- --> <!-- -->min. This observation aligns well with the formation energy based on DFT calculations, which explains the transition from disordered to ordered structures during low-temperature aging driven by the aggregation and diffusion of Mn atoms with antipapal spin moments.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"23 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758286","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 advances in the aging of β-titanium alloys","authors":"Jaideep Gupta, Ish Kumar Jha, Jaiveer Singh","doi":"10.1016/j.jallcom.2025.180098","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180098","url":null,"abstract":"Beta-titanium (β-Ti) alloys with their BCC crystal structure are vital in high-performance applications across aerospace, automotive, and biomedical fields. This paper explores recent advancements in the aging process of β-Ti alloys, crucial for enhancing their mechanical properties. A key focus is on the impact of aging on the formation of various precipitates, which significantly influence the β-Ti alloy's performance. Common precipitates in β-Ti alloys include the alpha (α) phase, omega (ω) phase, and other intermetallic compounds. Various aspects of these precipitates, such as formation, kinetics, size, shape, and imaging of these precipitates, have been extensively dealt with in this paper. The α phase normally forms as fine, needle-like structures within the β matrix, while the ω phase can appear as either athermal or isothermal precipitates. Their distribution and morphology significantly influence mechanical properties. The microstructure created during aging directly affects tensile strength, ductility, hardness, and fatigue resistance. While a fine and homogeneous distribution of precipitates can enhance yield strength and hardness, excessive coarseness or a high volume fraction of brittle phases can severely reduce ductility. Therefore, this paper emphasizes the importance of achieving an optimal balance between strength and ductility.It also addresses previously overlooked topics such as β transus temperature (β_t) and simulations. Recent studies employ computational simulations to model the aging process, assessing thermodynamic and kinetic factors that drive phase transformations. These simulations aid in understanding the nucleation, growth, and coarsening of precipitates, guiding the optimization of mechanical properties. The interplay between alloy composition, processing, and microstructure is underscored as crucial for performance. The paper concludes with a discussion of novel β-Ti alloys, highlighting their potential for tailored applications that demand both high strength and good ductility. Hence, this review provides valuable insights into enhancing the properties of β-Ti alloys through aging and simulation techniques, paving the way for future innovations.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"73 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758280","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":"Synergistic effects of dual-doping with Ce and Zr in CoP nanoneedle for highly-efficiency hydrogen evolution reaction and overall water splitting at high current density","authors":"Xinhui Lu, Hongzhi Wang, Shuo Yao, Fuli Li, Hanlei Sun, Licheng Liu","doi":"10.1016/j.jallcom.2025.180155","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180155","url":null,"abstract":"Developing efficient non-noble metal bifunctional electrocatalysts through rational design and construction remains a critical challenge in enhancing the efficiency of long-term overall water splitting. Herein, an optimized composite of Ce, Zr co-doping CoP nanoneedles grown on Ni foam (Ce,Zr-CoP/NF) was synthesized as a bi-functional electrocatalyst in water electrolysis. The electrocatalyst achieves a current density of 100<!-- --> <!-- -->mA/cm² at low overpotentials of 103<!-- --> <!-- -->mV for the hydrogen evolution reaction (HER) and 308<!-- --> <!-- -->mV for the oxygen evolution reaction (OER), significantly outperforming undoped CoP. Moreover, the catalyst demonstrates exceptional stability, maintaining high efficiency at 100<!-- --> <!-- -->mA/cm² and 80<!-- --> ^oC, as well as during overall seawater splitting when employed as both anode and cathode. Comprehensive experimental and computational analyses reveal that the Ce(Ⅲ) dopant modulates the electronic structure of Co, while Zr facilitates the stabilization of Ce³⁺ and modifies the material's band structure. These synergistic effects optimize the electron spin alignment at adsorption sites and the adsorption state of the ^⁎H intermediate, thereby enhancing the catalytic performance of Ce,Zr-CoP/NF. This dual-doping strategy offers a novel approach for designing high-performance transition metal phosphide (TMP) catalysts, paving the way for industrial-scale water electrolysis applications.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"25 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758283","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}