The CrFeNi medium-entropy alloy (MEA) is a promising candidate for advanced engineering applications. However, its insufficient strength limits its use in structural components. To improve the strength-ductility synergy, a harmonic structure (HS) was engineered in this alloy, featuring coarse-grained “core” regions surrounded by a network of fine-grained “shell” zones, through controlled mechanical milling followed by sintering. By varying two milling parameters — filling ratio (FR) and milling time — the HS architecture and mechanical properties of alloy were precisely tuned. The results show that stepwise reductions in FR from 0.350 to 0.117 and then to 0.058 progressively modify the deformation behavior of milled powders, from incomplete peripheral deformation to substantial deformation including distortion, and finally to moderate deformation. These changes correlate with shifts in the ball motion pattern from centrifugation/rolling through cataracting to cascading. The microstructural characteristics, specifically the “shell” fraction (fshell), and the alloy strength exhibit a rise-and-fall trend with decreasing FR. The optimal FR value of 0.058 promotes a favorable HS configuration with moderate fshell and a continuous “shell”, thereby enabling the alloy to achieve a superior strength-ductility balance. Prolonged milling from 50 h to 200 h thickens surface deformation layers and promotes agglomeration in the milled powders, significantly increasing fshell and undesirable lamellar structures in HS. This evolution enhances alloy strength mainly through hetero-deformation induced (HDI) strengthening, but gradually reduces ductility, as the increased HDI hardening resulting from elevated fshell fails to offset the diminished forest hardening due to grain refinement. This study identifies the optimal milling parameters for producing a strong and ductile CrFeNi alloy.
{"title":"Engineering harmonic structure in CrFeNi medium-entropy alloy via milling parameter optimization for enhanced mechanical performance","authors":"Pei Wang, Zhichao He, Zhenkai Qi, Yuqin Wu, Xiao Wu, Zhigang Yuan, Youjing Zhang, Xingwang Cheng","doi":"10.1016/j.jallcom.2026.186737","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186737","url":null,"abstract":"The CrFeNi medium-entropy alloy (MEA) is a promising candidate for advanced engineering applications. However, its insufficient strength limits its use in structural components. To improve the strength-ductility synergy, a harmonic structure (HS) was engineered in this alloy, featuring coarse-grained “core” regions surrounded by a network of fine-grained “shell” zones, through controlled mechanical milling followed by sintering. By varying two milling parameters — filling ratio (FR) and milling time — the HS architecture and mechanical properties of alloy were precisely tuned. The results show that stepwise reductions in FR from 0.350 to 0.117 and then to 0.058 progressively modify the deformation behavior of milled powders, from incomplete peripheral deformation to substantial deformation including distortion, and finally to moderate deformation. These changes correlate with shifts in the ball motion pattern from centrifugation/rolling through cataracting to cascading. The microstructural characteristics, specifically the “shell” fraction (<em>f</em><sub>shell</sub>), and the alloy strength exhibit a rise-and-fall trend with decreasing FR. The optimal FR value of 0.058 promotes a favorable HS configuration with moderate <em>f</em><sub>shell</sub> and a continuous “shell”, thereby enabling the alloy to achieve a superior strength-ductility balance. Prolonged milling from 50<!-- --> <!-- -->h to 200<!-- --> <!-- -->h thickens surface deformation layers and promotes agglomeration in the milled powders, significantly increasing <em>f</em><sub>shell</sub> and undesirable lamellar structures in HS. This evolution enhances alloy strength mainly through hetero-deformation induced (HDI) strengthening, but gradually reduces ductility, as the increased HDI hardening resulting from elevated <em>f</em><sub>shell</sub> fails to offset the diminished forest hardening due to grain refinement. This study identifies the optimal milling parameters for producing a strong and ductile CrFeNi alloy.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"312 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138375","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186776
Jitao Zhang, Shuaiwei Zong, Dmitry Filippov, Qingfang Zhang, Kang Li, Xiaowan Zheng, Qianyu Chen, Jiagui Tao, Liying Jiang, Lingzhi Cao
Magnetoelectric (ME) mechanical antennas, represented by strong ME coupling and efficient signal transmission under acoustic resonance, play an indispensable role in the emerging field of mechanically-driven VLF/LF communication. However, device further miniaturization through self-biasing techniques is constrained by substantial magnetic noise from conventional heterogeneous stacked configurations, posing indispensable challenges to communication stability. To address this issue, a full-gradient combinatorial co-fired technique was developed to synthesize monolithically-integrated nickel-zinc spinel ferrites (Ni1-xZnxFe2O4, 0.1≤x≤0.5) with magnetization gradient for constructing a self-biased, ultra-compact ME antenna. By precisely adjusting the Zn2+ compositional gradient, a magnetization gradient distribution was achieved within the monolithic ferrite, generating an internal magnetic field Hint(r) = -∇Φ(r) that effectively replaces external bias. Experimental results demonstrate that the full-gradient co-fired ferrite samples achieved maximum dynamic magneto-mechanical coefficient (d33m) of 20.98ppm/Oe and resonance ME voltage coefficient (MEVC) of 131.21V/(cm·Oe) at zero bias, representing enhancements of approximately 4.33× and 4.35×, respectively, compared with homogeneous sample (x=0.3) under comparative dimensions. Furthermore, the developed self-biased ME antenna exhibits a LOD (limit of detection) of 5pT with distance response strength of 10nT at 1m, while achieving a competitive SNR (signal-to-noise ratio) of 69.89dB relative to the counterparts reported so far. In amplitude-shift keying (ASK) modulated communication tests, the device successfully and stably received 20bps ASK-modulated signals under air-saline lossy cross-medium conditions without distortion. This work marks a significant advancement in self-biased ME antenna miniaturization technology, offering a promising pathway for practical applications in high-frequency (HF)-denied environments with stringent demands of device portability and miniaturization─ such as condition monitoring of subsea gas-insulated transmission lines (GIL) and underwater emergency communication.
{"title":"Full-gradient combinatorial co-fired bulk nickel-zinc spinel ferrites for self-biased magnetoelectric antenna and its eventual applications in cross-medium communication","authors":"Jitao Zhang, Shuaiwei Zong, Dmitry Filippov, Qingfang Zhang, Kang Li, Xiaowan Zheng, Qianyu Chen, Jiagui Tao, Liying Jiang, Lingzhi Cao","doi":"10.1016/j.jallcom.2026.186776","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186776","url":null,"abstract":"Magnetoelectric (ME) mechanical antennas, represented by strong ME coupling and efficient signal transmission under acoustic resonance, play an indispensable role in the emerging field of mechanically-driven VLF/LF communication. However, device further miniaturization through self-biasing techniques is constrained by substantial magnetic noise from conventional heterogeneous stacked configurations, posing indispensable challenges to communication stability. To address this issue, a full-gradient combinatorial co-fired technique was developed to synthesize monolithically-integrated nickel-zinc spinel ferrites (Ni<ce:inf loc=\"post\">1<ce:italic>-x</ce:italic></ce:inf>Zn<ce:inf loc=\"post\"><ce:italic>x</ce:italic></ce:inf>Fe<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">4</ce:inf>, 0.1≤x≤0.5) with magnetization gradient for constructing a self-biased, ultra-compact ME antenna. By precisely adjusting the Zn<ce:sup loc=\"post\">2+</ce:sup> compositional gradient, a magnetization gradient distribution was achieved within the monolithic ferrite, generating an internal magnetic field H<ce:inf loc=\"post\">int</ce:inf>(r) = -∇Φ(r) that effectively replaces external bias. Experimental results demonstrate that the full-gradient co-fired ferrite samples achieved maximum dynamic magneto-mechanical coefficient (<ce:italic>d</ce:italic><ce:inf loc=\"post\"><ce:italic>33m</ce:italic></ce:inf>) of 20.98ppm/Oe and resonance ME voltage coefficient (MEVC) of 131.21<ce:hsp sp=\"0.25\"></ce:hsp>V/(cm·Oe) at zero bias, representing enhancements of approximately 4.33× and 4.35×, respectively, compared with homogeneous sample (<ce:italic>x</ce:italic>=0.3) under comparative dimensions. Furthermore, the developed self-biased ME antenna exhibits a LOD (limit of detection) of 5pT with distance response strength of 10nT at 1<ce:hsp sp=\"0.25\"></ce:hsp>m, while achieving a competitive SNR (signal-to-noise ratio) of 69.89<ce:hsp sp=\"0.25\"></ce:hsp>dB relative to the counterparts reported so far. In amplitude-shift keying (ASK) modulated communication tests, the device successfully and stably received 20<ce:hsp sp=\"0.25\"></ce:hsp>bps ASK-modulated signals under air-saline lossy cross-medium conditions without distortion. This work marks a significant advancement in self-biased ME antenna miniaturization technology, offering a promising pathway for practical applications in high-frequency (HF)-denied environments with stringent demands of device portability and miniaturization─ such as condition monitoring of subsea gas-insulated transmission lines (GIL) and underwater emergency communication.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"7 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146312","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186758
Shuhao Cao, Pengting Li, Xinpeng Zhuang, Yuanhang Gao, Yi Tan, Dachuan Jiang, Yi Li
The direct current assisted directional solidification technology (DCADS) was used to purify the revert alloy of the Ni-based superalloy DZ125. Direct current can stabilize columnar growth and refine microstructure.At a current density of 8A/cm2, primary and secondary dendrite arm spacings are reduced by 55.9% and 26.8%, and γ′ phases become finer and more uniform. DCADS also drives directional migration of inclusions (CaO, HfO2, Al2O3, and (Cr, W, Mo)xSy) to the ingot top, resulting in a substantial decrease of impurities. The total O+N+S content in the middle and bottom regions decreases by 74.51–77.86% at 4–8A/cm² relative to the raw material. The applied direct current optimizes the solid–liquid interface morphology and refines dendrite arm spacings, thereby promoting the directional migration and accumulation of inclusions. This method provides a reference for further purifying revert alloys of cast superalloys and improving their reuse rate.
{"title":"Purification and recycling of DZ125 revert alloy by direct current assisted directional solidification technology","authors":"Shuhao Cao, Pengting Li, Xinpeng Zhuang, Yuanhang Gao, Yi Tan, Dachuan Jiang, Yi Li","doi":"10.1016/j.jallcom.2026.186758","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186758","url":null,"abstract":"The direct current assisted directional solidification technology (DCADS) was used to purify the revert alloy of the Ni-based superalloy DZ125. Direct current can stabilize columnar growth and refine microstructure.At a current density of 8<ce:hsp sp=\"0.25\"></ce:hsp>A/cm<ce:sup loc=\"post\">2</ce:sup>, primary and secondary dendrite arm spacings are reduced by 55.9% and 26.8%, and γ′ phases become finer and more uniform. DCADS also drives directional migration of inclusions (CaO, HfO<ce:inf loc=\"post\">2</ce:inf>, Al<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">3</ce:inf>, and (Cr, W, Mo)<ce:inf loc=\"post\">x</ce:inf>S<ce:inf loc=\"post\">y</ce:inf>) to the ingot top, resulting in a substantial decrease of impurities. The total O+N+S content in the middle and bottom regions decreases by 74.51–77.86% at 4–8<ce:hsp sp=\"0.25\"></ce:hsp>A/cm² relative to the raw material. The applied direct current optimizes the solid–liquid interface morphology and refines dendrite arm spacings, thereby promoting the directional migration and accumulation of inclusions. This method provides a reference for further purifying revert alloys of cast superalloys and improving their reuse rate.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"34 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146347","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186709
Abhijeet R. Kadam, R.B. Aurade, S.J. Dhoble
Oxide perovskite phosphors have attracted considerable interest for applications in solid-state lighting, particularly phosphor-converted white light-emitting diodes (pc-WLEDs), as well as spectral management in photovoltaic devices. In this work, Dy³⁺, Tb³⁺, and Eu³⁺ ions were singly doped, co-doped, and tri-doped into a LaAlO₃ host to investigate their luminescence behavior and energy transfer characteristics. The tri-doped phosphors exhibit intense and tunable multicolor emission suitable for white light generation, arising from the combined contributions of Dy³⁺, Tb³⁺, and Eu³⁺ ions, resulting in balanced white or near-white light emission under near-UV excitation. Efficient cascade energy transfer among Dy³⁺ → Tb³⁺ → Eu³⁺ ions plays a key role in enhancing emission intensity and color quality relevant to WLED applications. In addition, the optimized phosphor demonstrates potential applicability as a downconversion layer for improving light utilization in dye-sensitized solar cells. These results highlight the suitability of LaAlO₃:Dy³⁺/Tb³⁺/Eu³⁺ phosphors for pc-WLED-based solid-state lighting, with additional relevance to photovoltaic enhancement.
{"title":"Harnessing Multicolour Photoluminescence from Dy3+/Tb3+/Eu3+ Doped LaAlO3 for High-Performance White LEDs and Dye-Sensitized Solar Cells","authors":"Abhijeet R. Kadam, R.B. Aurade, S.J. Dhoble","doi":"10.1016/j.jallcom.2026.186709","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186709","url":null,"abstract":"Oxide perovskite phosphors have attracted considerable interest for applications in solid-state lighting, particularly phosphor-converted white light-emitting diodes (pc-WLEDs), as well as spectral management in photovoltaic devices. In this work, Dy³⁺, Tb³⁺, and Eu³⁺ ions were singly doped, co-doped, and tri-doped into a LaAlO₃ host to investigate their luminescence behavior and energy transfer characteristics. The tri-doped phosphors exhibit intense and tunable multicolor emission suitable for white light generation<strong>,</strong> arising from the combined contributions of Dy³⁺, Tb³⁺, and Eu³⁺ ions, resulting in balanced white or near-white light emission under near-UV excitation. Efficient cascade energy transfer among Dy³⁺ → Tb³⁺ → Eu³⁺ ions plays a key role in enhancing emission intensity and color quality relevant to WLED applications. In addition, the optimized phosphor demonstrates potential applicability as a downconversion layer for improving light utilization in dye-sensitized solar cells. These results highlight the suitability of LaAlO₃:Dy³⁺/Tb³⁺/Eu³⁺ phosphors for pc-WLED-based solid-state lighting, with additional relevance to photovoltaic enhancement.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"4 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138373","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186742
Xiang Zhang, Qiang Wang, Kun Fu, Xiaolei Su
The nature of bonding (ionic vs. covalent) at the heterointerface impacts MXene-based composites’ electromagnetic performance. Modulating bonding types and their effects on charge dynamics is challenging. This study controls bonding in LaF3/Ti3C2Tx heterostructures via in-situ growth, focusing on ionic/covalent differences in charge transfer and energy dissipation. LaF3 has ionic bonding (F--La3+ electrostatic interactions), while Ti3C2Tx shows mixed metallic-covalent bonding (electron - delocalized Ti-C). At the interface, bonding disparity drives directional charge transfer (La3+-Ti3C2Tx), forming interfacial dipoles. This enhances electromagnetic loss: LaF3’s ionic bonding induces dipole polarization, and Ti3C2Tx’s covalent interactions enable conductive loss. Findings highlight bonding engineering for optimizing MXene absorbers, providing a framework for tailoring properties via interfacial bonding regulation.
{"title":"Preparation and Microwave absorption property of LaF3/Ti3C2Tx heterostructure composite","authors":"Xiang Zhang, Qiang Wang, Kun Fu, Xiaolei Su","doi":"10.1016/j.jallcom.2026.186742","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186742","url":null,"abstract":"The nature of bonding (ionic vs. covalent) at the heterointerface impacts MXene-based composites’ electromagnetic performance. Modulating bonding types and their effects on charge dynamics is challenging. This study controls bonding in LaF<sub>3</sub>/Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> heterostructures via in-situ growth, focusing on ionic/covalent differences in charge transfer and energy dissipation. LaF<sub>3</sub> has ionic bonding (F<sup>-</sup>-La<sup>3+</sup> electrostatic interactions), while Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> shows mixed metallic-covalent bonding (electron - delocalized Ti-C). At the interface, bonding disparity drives directional charge transfer (La<sup>3+</sup>-Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>), forming interfacial dipoles. This enhances electromagnetic loss: LaF<sub>3</sub>’s ionic bonding induces dipole polarization, and Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>’s covalent interactions enable conductive loss. Findings highlight bonding engineering for optimizing MXene absorbers, providing a framework for tailoring properties via interfacial bonding regulation.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"45 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138420","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186772
Xinhui Zhang, Jinkang Yu, Baonan Jia, Changcheng Chen, Chunling Zhang, Ge Wu, XunZhe Zhang, Jinbo Hao, Pengfei Lu
Electrocatalytic technology paves a new way to address the current issues of fossil fuel consumption, environmental pollution, and efficient energy utilization. In this paper, we employ open metal sites and metal center substitution strategies to improve their stability and enhance hydrogen evolution performance. We engineered a novel series of SIFSIX-TM MOFs (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) derived from SIFSIX-Cu and systematically investigated their hydrogen evolution reaction (HER) performance through first-principles calculations. Geometric, thermodynamic, and electrochemical stability of all derivatives were rigorously validated via cohesive energy, formation energy, and dissolution potential analyses. The results indicate that SIFSIX-Fe demonstrated exceptional multi-site HER activity, achieving hydrogen adsorption free energies (|∆GH*| < 0.2eV) at Sites 1, 2 and 3. The band structure and projected density of states indicate that it possesses metallic conductivity, while the position of the d-band center (−0.21eV relative to Efermi) denotes moderate adsorption strength. Crystal Orbital Hamiltonian Population analysis confirmed robust C–H bonding interactions, with Bader charge quantification further demonstrating efficient 0.08 e transfer from adsorbed H* species to catalytic centers. This multi-faceted electronic restructuring collectively facilitates superior proton adsorption kinetics and Volmer-step acceleration. Notably, implicit solvation models confirmed retained HER activity under operational conditions. In this work, we designed SIFSIX-TM MOF materials through the strategy of open metal sites and metal center substitution, obtaining SIFSIX-Fe materials as a premier multi-active-site hydrogen evolution electrocatalyst, and providing a design paradigm for low-cost single-atom catalysts through open metal sites and metal center substitution engineering.
{"title":"Surface-Engineered SIFSIX MOFs with Exposed Active Sites via Metal Substitution for Enhanced Electrocatalytic Hydrogen Evolution","authors":"Xinhui Zhang, Jinkang Yu, Baonan Jia, Changcheng Chen, Chunling Zhang, Ge Wu, XunZhe Zhang, Jinbo Hao, Pengfei Lu","doi":"10.1016/j.jallcom.2026.186772","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186772","url":null,"abstract":"Electrocatalytic technology paves a new way to address the current issues of fossil fuel consumption, environmental pollution, and efficient energy utilization. In this paper, we employ open metal sites and metal center substitution strategies to improve their stability and enhance hydrogen evolution performance. We engineered a novel series of SIFSIX-TM MOFs (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) derived from SIFSIX-Cu and systematically investigated their hydrogen evolution reaction (HER) performance through first-principles calculations. Geometric, thermodynamic, and electrochemical stability of all derivatives were rigorously validated via cohesive energy, formation energy, and dissolution potential analyses. The results indicate that SIFSIX-Fe demonstrated exceptional multi-site HER activity, achieving hydrogen adsorption free energies (|<mml:math altimg=\"si0001.gif\"><mml:mo>∆</mml:mo><mml:msub><mml:mrow><mml:mi>G</mml:mi></mml:mrow><mml:mrow><mml:msup><mml:mrow><mml:mi>H</mml:mi></mml:mrow><mml:mrow><mml:mo>*</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:msub></mml:math>| < 0.2<ce:hsp sp=\"0.25\"></ce:hsp>eV) at Sites 1, 2 and 3. The band structure and projected density of states indicate that it possesses metallic conductivity, while the position of the d-band center (−0.21<ce:hsp sp=\"0.25\"></ce:hsp>eV relative to <mml:math altimg=\"si0002.gif\"><mml:msub><mml:mrow><mml:mi>E</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant=\"italic\">fermi</mml:mi></mml:mrow></mml:msub></mml:math>) denotes moderate adsorption strength. Crystal Orbital Hamiltonian Population analysis confirmed robust C–H bonding interactions, with Bader charge quantification further demonstrating efficient 0.08 e transfer from adsorbed H* species to catalytic centers. This multi-faceted electronic restructuring collectively facilitates superior proton adsorption kinetics and Volmer-step acceleration. Notably, implicit solvation models confirmed retained HER activity under operational conditions. In this work, we designed SIFSIX-TM MOF materials through the strategy of open metal sites and metal center substitution, obtaining SIFSIX-Fe materials as a premier multi-active-site hydrogen evolution electrocatalyst, and providing a design paradigm for low-cost single-atom catalysts through open metal sites and metal center substitution engineering.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"15 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146345","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186725
Jakub Iwański, Mateusz Tokarczyk, Aleksandra K. Dąbrowska, Marta Bilska, Kamil Sobczak, Johannes Binder, Andrzej Wysmołek
Hexagonal boron nitride (hBN) is a promising wide-bandgap layered semiconductor for deep ultraviolet (DUV) optoelectronics, yet the lack of efficient bandgap engineering strategies has hindered its implementation in quantum well structures. In this work, we report the controlled growth of sp2-bonded boron aluminum nitride (hB1-xAlxN) alloys on sapphire substrates by metalorganic vapor phase epitaxy (MOVPE) and present a systematic investigation of how precursors injection schemes influence alloy formation. Two distinct growth protocols: continuous flow growth (CFG) and flow modulation epitaxy (FME) were systematically compared to reveal their impact on crystal structure, morphology, aluminum incorporation, and optical response. CFG invariably led to the formation of misoriented, porous flakes, whereas FME enabled continuous layered growth with preserved crystallinity. By varying the precursor pulsing sequence in FME, we achieved an Al incorporation up to x=0.66% and observed pronounced differences in strain distribution, defect density, and absorption characteristics. The results revealed that simultaneous pulsing of TEB and TMAl, rather than their separation, enables more efficient aluminum incorporation while preserving the sp²-bonded layered structure, as confirmed by Fourier-transform infrared spectroscopy. Absorption measurements further showed that even low Al contents modify excitonic transitions near the band edge and influence the polytype of the material. Altogether, these results highlight a new pathway for compositional tuning in layered nitrides through precise control of co-injected precursors, demonstrating the crucial role of injection protocols in governing both structural integrity and optical performance of hB1-xAlxN in the DUV spectral range.
{"title":"Controlled MOVPE growth of sp2-bonded BAlN alloys: Influence of precursor injection schemes on crystal structure and optical properties","authors":"Jakub Iwański, Mateusz Tokarczyk, Aleksandra K. Dąbrowska, Marta Bilska, Kamil Sobczak, Johannes Binder, Andrzej Wysmołek","doi":"10.1016/j.jallcom.2026.186725","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186725","url":null,"abstract":"Hexagonal boron nitride (hBN) is a promising wide-bandgap layered semiconductor for deep ultraviolet (DUV) optoelectronics, yet the lack of efficient bandgap engineering strategies has hindered its implementation in quantum well structures. In this work, we report the controlled growth of sp<ce:sup loc=\"post\">2</ce:sup>-bonded boron aluminum nitride (hB<ce:inf loc=\"post\">1-x</ce:inf>Al<ce:inf loc=\"post\">x</ce:inf>N) alloys on sapphire substrates by metalorganic vapor phase epitaxy (MOVPE) and present a systematic investigation of how precursors injection schemes influence alloy formation. Two distinct growth protocols: continuous flow growth (CFG) and flow modulation epitaxy (FME) were systematically compared to reveal their impact on crystal structure, morphology, aluminum incorporation, and optical response. CFG invariably led to the formation of misoriented, porous flakes, whereas FME enabled continuous layered growth with preserved crystallinity. By varying the precursor pulsing sequence in FME, we achieved an Al incorporation up to <ce:italic>x</ce:italic>=0.66% and observed pronounced differences in strain distribution, defect density, and absorption characteristics. The results revealed that simultaneous pulsing of TEB and TMAl, rather than their separation, enables more efficient aluminum incorporation while preserving the sp²-bonded layered structure, as confirmed by Fourier-transform infrared spectroscopy. Absorption measurements further showed that even low Al contents modify excitonic transitions near the band edge and influence the polytype of the material. Altogether, these results highlight a new pathway for compositional tuning in layered nitrides through precise control of co-injected precursors, demonstrating the crucial role of injection protocols in governing both structural integrity and optical performance of hB<ce:inf loc=\"post\">1-x</ce:inf>Al<ce:inf loc=\"post\">x</ce:inf>N in the DUV spectral range.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146385","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186735
Min Wang, Jinbao Lin, Yihao Li, Xun Chen, Xingwang Duan, Xin Che
The industrial application of ZK60 magnesium (Mg) alloy sheets is limited by edge cracking during the rolling process. This study systematically investigates the edge cracking behavior of the magnesium alloy sheets under different reduction ratios through multi-pass hot rolling experiments and finite element (FEM) simulation. Furthermore, by employing electron backscatter diffraction (EBSD), combined with in-grain misorientation axis (IGMA) analysis and twin analysis, the synergistic mechanism of slip and twinning on crack propagation is elucidated. The study found that no edge cracks were observed at a 30 % reduction rate, while higher reduction rates promoted the formation of 45° shear cracks. Both the length and number of cracks increased significantly with greater reduction. These observations align with the FEM-predicted stress distributions. Microstructural analysis reveals that damage accumulation and void coalescence are closely associated to crack initiation. At lower reduction ratios, crack propagation was dominated by the intergranular mode, primarily associated with the incoordination of grain boundary sliding. With the increase in reduction ratios, multiple slip systems are activated synergistically. The twin type at the crack tip transitions from compression twins and complex twins to being dominated by {10–12} tensile twins. Correspondingly, the crack propagation mode gradually evolves from an intergranular-dominated mode to a mixed intergranular-transgranular mode. This study provides a microstructural basis for subsequent investigations into the mechanisms of edge crack during Mg alloy rolling.
{"title":"Micromechanisms of edge cracking in rolled ZK60 magnesium alloy sheets under multi-coupling effects","authors":"Min Wang, Jinbao Lin, Yihao Li, Xun Chen, Xingwang Duan, Xin Che","doi":"10.1016/j.jallcom.2026.186735","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186735","url":null,"abstract":"The industrial application of ZK60 magnesium (Mg) alloy sheets is limited by edge cracking during the rolling process. This study systematically investigates the edge cracking behavior of the magnesium alloy sheets under different reduction ratios through multi-pass hot rolling experiments and finite element (FEM) simulation. Furthermore, by employing electron backscatter diffraction (EBSD), combined with in-grain misorientation axis (IGMA) analysis and twin analysis, the synergistic mechanism of slip and twinning on crack propagation is elucidated. The study found that no edge cracks were observed at a 30 % reduction rate, while higher reduction rates promoted the formation of 45° shear cracks. Both the length and number of cracks increased significantly with greater reduction. These observations align with the FEM-predicted stress distributions. Microstructural analysis reveals that damage accumulation and void coalescence are closely associated to crack initiation. At lower reduction ratios, crack propagation was dominated by the intergranular mode, primarily associated with the incoordination of grain boundary sliding. With the increase in reduction ratios, multiple slip systems are activated synergistically. The twin type at the crack tip transitions from compression twins and complex twins to being dominated by {10–12} tensile twins. Correspondingly, the crack propagation mode gradually evolves from an intergranular-dominated mode to a mixed intergranular-transgranular mode. This study provides a microstructural basis for subsequent investigations into the mechanisms of edge crack during Mg alloy rolling.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"6 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146390","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}
The feasibility of using higher manganese silicide MnSiγ~1.73 with a low carrier concentration (N) for near-infrared (NIR) absorption applications was investigated. Vanadium (V) and iron (Fe) co-substituted MnSiγ single crystals, (Mn0.99-xV0.01Fex)Siγ, were synthesized using a melting method. V doping diminished the MnSi striations in the single crystals, whereas Fe substitution inverted the conduction-type of the co-substituted MnSiγ single crystals from p-type to n-type. These findings are corroborated by the Hall coefficient measurements. The variation in the valence electron counts (VEC) confirmed that the pn transition occurred at VEC ≈ 14.007, consistent with the 14-electron rule. At the pn transition, the lowest N ≈ 7.3(4)×1016cm-3 was obtained, resulting in the formation of a sufficiently thick depletion layer. These results indicate that (Mn0.99-xV0.01Fex)Siγ single crystals are promising NIR absorption candidates.
{"title":"Precise control of conduction type of higher manganese silicide single crystals via vanadium and iron co-substitution","authors":"Toshiaki Chiba, Kei Hayashi, Zhicheng Huang, Pengwen Gao, Nagendra Singh Chauhan, Tatsuya Oyama, Hisashi Kato, Yuzuru Miyazaki","doi":"10.1016/j.jallcom.2026.186726","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186726","url":null,"abstract":"The feasibility of using higher manganese silicide MnSi<ce:inf loc=\"post\"><ce:italic>γ</ce:italic>~1.73</ce:inf> with a low carrier concentration (<ce:italic>N</ce:italic>) for near-infrared (NIR) absorption applications was investigated. Vanadium (V) and iron (Fe) co-substituted MnSi<ce:inf loc=\"post\"><ce:italic>γ</ce:italic></ce:inf> single crystals, (Mn<ce:inf loc=\"post\">0.99-<ce:italic>x</ce:italic></ce:inf>V<ce:inf loc=\"post\">0.01</ce:inf>Fe<ce:inf loc=\"post\"><ce:italic>x</ce:italic></ce:inf>)Si<ce:inf loc=\"post\"><ce:italic>γ</ce:italic></ce:inf>, were synthesized using a melting method. V doping diminished the MnSi striations in the single crystals, whereas Fe substitution inverted the conduction-type of the co-substituted MnSi<ce:inf loc=\"post\"><ce:italic>γ</ce:italic></ce:inf> single crystals from <ce:italic>p</ce:italic>-type to <ce:italic>n</ce:italic>-type. These findings are corroborated by the Hall coefficient measurements. The variation in the valence electron counts (VEC) confirmed that the <ce:italic>pn</ce:italic> transition occurred at VEC ≈ 14.007, consistent with the 14-electron rule. At the <ce:italic>pn</ce:italic> transition, the lowest <ce:italic>N</ce:italic> ≈ 7.3(4)×10<ce:sup loc=\"post\">16<ce:hsp sp=\"0.25\"></ce:hsp></ce:sup>cm<ce:sup loc=\"post\">-3</ce:sup> was obtained, resulting in the formation of a sufficiently thick depletion layer. These results indicate that (Mn<ce:inf loc=\"post\">0.99-<ce:italic>x</ce:italic></ce:inf>V<ce:inf loc=\"post\">0.01</ce:inf>Fe<ce:inf loc=\"post\"><ce:italic>x</ce:italic></ce:inf>)Si<ce:inf loc=\"post\"><ce:italic>γ</ce:italic></ce:inf> single crystals are promising NIR absorption candidates.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"73 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146423","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}
Pub Date : 2026-02-09DOI: 10.1016/j.jallcom.2026.186750
Haiqing Su, Jiatong Zhou, Jiajun Liao, Jiaping Yu, Feng Hong, Shukun Sun, Jingjing Zhang, Jingxiao Liu, Hai Lin
Addressing the issues of poor water stability and low fluorescence intensity in Mn4+-activated fluoride phosphors is crucial for enhancing their application in white light-emitting diodes (WLEDs). So, this study combines passivation and organic coating strategies to construct a series of K2TiF6:Mn4+ (KTFM) red phosphors with core-shell structures, including single-layer core-shell structures K2TiF6:Mn4+@K2(Ti/Sn)F6 (KTFM-P) and K2TiF6:Mn4+@PPG (KTFM-C), as well as double-layer core-shell structure K2TiF6:Mn4+@K2(Ti/Sn)F6@PPG (KTFM-P-C). The formation mechanisms of core-shell structures are thoroughly investigated and analyzed. A systematic comparative analysis is conducted on the crystal structure, morphological characteristics, chemical composition, and photoluminescence properties of all as-synthesized red phosphors. The results indicate that KTFM-P-C is the most excellent red phosphor, characterized by narrowband red emission, low correlated color temperature (CCT), high color purity, and short fluorescence lifetime. Under 468 nm blue excitation, the PL intensity of the KTFM-P-C red phosphor increases by 47.35 % compared to the KTFM phosphor. Furthermore, after 60 min of immersion in water, the relative PL intensity of KTFM-P-C maintains 61.30 % of its initial value, whereas the KTFM phosphor retains only 6.30 %. The construction of this double-layer core-shell structure does not significantly affect the thermal stability of the phosphor. Surprisingly, the warm WLED encapsulated with KTFM-P-C as the red component exhibits outstanding optical performance (CCT = 3966 K, Ra = 90.2, LE = 70.04 lm/W). Moreover, this highly efficient warm WLED demonstrates excellent output stability under high drive currents. The aforementioned multiple enhancement effects indicate that this double-layer core-shell KTFM-P-C red phosphor holds broad application prospects in the field of indoor lighting.
解决Mn4+活化氟化物荧光粉的水稳定性差和荧光强度低的问题对于提高其在白光发光二极管（wled）中的应用至关重要。因此，本研究结合钝化和有机包覆策略，构建了一系列具有核壳结构的K2TiF6:Mn4+ (KTFM)红色荧光粉，包括单层核壳结构K2TiF6:Mn4+@K2(Ti/Sn)F6 （KTFM- p）和K2TiF6:Mn4+@PPG (KTFM- c)，以及双层核壳结构K2TiF6:Mn4+@K2(Ti/Sn)F6@PPG （KTFM- p - c）。对核壳结构的形成机理进行了深入的研究和分析。对所有合成的红色荧光粉的晶体结构、形态特征、化学组成及光致发光性能进行了系统的比较分析。结果表明，KTFM-P-C具有窄带红发射、低相关色温（CCT）、高色纯度、荧光寿命短等特点，是最优秀的红色荧光粉。在468 nm蓝光激发下，KTFM- p - c红色荧光粉的发光强度比KTFM荧光粉提高了47.35 %。此外，在水中浸泡60 min后，KTFM- p - c的相对PL强度保持在初始值的61.30 %，而KTFM荧光粉仅保持6.30 %。这种双层核壳结构的构造对荧光粉的热稳定性没有显著影响。令人惊讶的是，以ktft - p - c封装为红色成分的暖WLED具有出色的光学性能（CCT = 3966 K, Ra = 90.2, LE = 70.04 lm/W）。此外，这种高效的暖WLED在高驱动电流下表现出优异的输出稳定性。上述多重增强效应表明，这种双层核壳KTFM-P-C红色荧光粉在室内照明领域具有广阔的应用前景。
{"title":"Construction of double-layer core-shell structure K2TiF6:Mn4+ @K2(Ti/Sn)F6@PPG red phosphor with enhanced luminescence intensity and water stability for high-performance warm WLED","authors":"Haiqing Su, Jiatong Zhou, Jiajun Liao, Jiaping Yu, Feng Hong, Shukun Sun, Jingjing Zhang, Jingxiao Liu, Hai Lin","doi":"10.1016/j.jallcom.2026.186750","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186750","url":null,"abstract":"Addressing the issues of poor water stability and low fluorescence intensity in Mn<ce:sup loc=\"post\">4+</ce:sup>-activated fluoride phosphors is crucial for enhancing their application in white light-emitting diodes (WLEDs). So, this study combines passivation and organic coating strategies to construct a series of K<ce:inf loc=\"post\">2</ce:inf>TiF<ce:inf loc=\"post\">6</ce:inf>:Mn<ce:sup loc=\"post\">4+</ce:sup> (KTFM) red phosphors with core-shell structures, including single-layer core-shell structures K<ce:inf loc=\"post\">2</ce:inf>TiF<ce:inf loc=\"post\">6</ce:inf>:Mn<ce:sup loc=\"post\">4+</ce:sup>@K<ce:inf loc=\"post\">2</ce:inf>(Ti/Sn)F<ce:inf loc=\"post\">6</ce:inf> (KTFM-P) and K<ce:inf loc=\"post\">2</ce:inf>TiF<ce:inf loc=\"post\">6</ce:inf>:Mn<ce:sup loc=\"post\">4+</ce:sup>@PPG (KTFM-C), as well as double-layer core-shell structure K<ce:inf loc=\"post\">2</ce:inf>TiF<ce:inf loc=\"post\">6</ce:inf>:Mn<ce:sup loc=\"post\">4+</ce:sup>@K<ce:inf loc=\"post\">2</ce:inf>(Ti/Sn)F<ce:inf loc=\"post\">6</ce:inf>@PPG (KTFM-P-C). The formation mechanisms of core-shell structures are thoroughly investigated and analyzed. A systematic comparative analysis is conducted on the crystal structure, morphological characteristics, chemical composition, and photoluminescence properties of all as-synthesized red phosphors. The results indicate that KTFM-P-C is the most excellent red phosphor, characterized by narrowband red emission, low correlated color temperature (CCT), high color purity, and short fluorescence lifetime. Under 468 nm blue excitation, the PL intensity of the KTFM-P-C red phosphor increases by 47.35 % compared to the KTFM phosphor. Furthermore, after 60 min of immersion in water, the relative PL intensity of KTFM-P-C maintains 61.30 % of its initial value, whereas the KTFM phosphor retains only 6.30 %. The construction of this double-layer core-shell structure does not significantly affect the thermal stability of the phosphor. Surprisingly, the warm WLED encapsulated with KTFM-P-C as the red component exhibits outstanding optical performance (CCT = 3966 K, R<ce:inf loc=\"post\">a</ce:inf> = 90.2, LE = 70.04 lm/W). Moreover, this highly efficient warm WLED demonstrates excellent output stability under high drive currents. The aforementioned multiple enhancement effects indicate that this double-layer core-shell KTFM-P-C red phosphor holds broad application prospects in the field of indoor lighting.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"39 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146388","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}
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