Progress in Natural Science: Materials International最新文献_第3页

Ultrafast joule-heating synthesis of FeCoMnCuAl high-entropy-alloy nanoparticles as efficient OER electrocatalysts 超快焦耳加热合成作为高效 OER 电催化剂的铁钴锰铜铝高熵合金纳米粒子

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.08.005

Xindong Zhu , Wen Huang , Yu Lou , Zhongzheng Yao , Huiqiang Ying , Min Dong , Lan Tan , Jianrong Zeng , Hua Ji , He Zhu , Si Lan

High entropy alloys (HEAs), known for their synergistic orbital interactions among multiple elements, have been recognized as promising electrocatalysts for enhancing the sluggish kinetics of oxygen evolution reaction (OER). Despite their potential, the facile and rapid preparation of HEA nanoparticles (NPs) with high electrocatalytic activity remains challenging. Here, we report an ultrafast synthesis of noble-metal-free FeCoMnCuAl HEA NPs loaded on conductive carbon fiber networks using a Joule heating strategy. The prepared HEA NPs exhibited a face-centered cubic (FCC) structure with an average size of approximately 25 nm. Synchrotron X-ray absorption fine structure (XAFS) and X-ray photoelectron spectroscopy (XPS) studies were performed to investigate the atomic and electronic structures of the HEA NPs, revealing the co-presence of Fe, Co, Mn, Cu and Al elements as well as their different valences across surface and internal regions. The HEA NPs showed remarkable OER performance, exhibiting an overpotential of 280 mV at 10 mA cm⁻² and a low Tafel slope of 76.13 mV dec⁻¹ in a 1.0 M KOH solution with high electrochemical stability, superior to commercial RuO₂ electrocatalysts. This work provides a new approach for synthesizing nanoscale noble-metal-free HEA electrocatalysts for clean energy conversion applications on a large-scale basis for practical commercialization.

高熵合金（HEAs）因其多种元素之间的协同轨道相互作用而闻名，已被认为是一种很有前途的电催化剂，可提高氧气进化反应（OER）的缓慢动力学。尽管 HEA 具有巨大的潜力，但如何方便、快速地制备出具有高电催化活性的 HEA 纳米颗粒（NPs）仍是一项挑战。在此，我们报告了利用焦耳加热策略在导电碳纤维网络上超快合成不含惰性金属的铁钴锰铜铝 HEA NPs。制备的 HEA NPs 呈面心立方（FCC）结构，平均尺寸约为 25 nm。同步辐射 X 射线吸收精细结构 (XAFS) 和 X 射线光电子能谱 (XPS) 研究对 HEA NPs 的原子和电子结构进行了研究，揭示了 Fe、Co、Mn、Cu 和 Al 元素的共存以及它们在表面和内部区域的不同价位。HEA NPs 表现出卓越的 OER 性能，在 10 mA cm-2 的过电位为 280 mV，在 1.0 M KOH 溶液中的 Tafel 斜坡低至 76.13 mV dec-1，具有很高的电化学稳定性，优于商用 RuO2 电催化剂。这项工作为大规模合成用于清洁能源转换应用的纳米级无惰性金属 HEA 电催化剂提供了一种新方法，可实现实际商业化。

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引用次数: 0

Comprehensive hydrogen storage properties of free-V Ti1-xZrxMn0.9Cr0.7Fe0.1 alloys with different Zr substitution content 不同 Zr 替代含量的自由-V Ti1-Zr Mn0.9Cr07Fe0.1 合金的综合储氢特性

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.07.011

Binbin He , Yanshan Lu , Jun Jiang , Zhilin Zhan , Baojia Ni , Lijun Lv , Taijun Pan

Hydrogen has been widely recognized as a promising new renewable energy source. Developing safe and efficient hydrogen storage technologies is crucial for scaling up hydrogen energy applications. AB₂-type Ti–Mn-based hydrogen storage alloys have excellent kinetic and activation properties, but their comprehensive hydrogen storage performance, especially the hydrogen storage capacity, platform pressure, and cycling stability of low-cost Ti–Mn-based alloys without V, needs to be further optimized. Hence, the hydrogen storage properties of the Ti_1-xZr_xMn_0.9Cr₀_.₇Fe_0.1 (x = 0.05, 0.16, 0.20, 0.25) were systematically studied. All of the series alloys contained a single C14-type Laves phase structure. Increasing the substitution of Zr for Ti resulted in higher hydrogen storage capacities and lower plateau pressures. Notably, the effective hydrogen storage capacity of x = 0.16 alloy is significantly higher than that of the other alloys, and its platform pressure is the most suitable. This alloy achieved a hydrogen content of 1.8 wt% and demonstrated excellent cycling stability, retaining 98.6 % of its capacity after 100 cycles. This study provides a theoretical guideline for optimizing the properties of low-cost TiMn-based alloys without V.

氢已被广泛认为是一种前景广阔的新型可再生能源。开发安全高效的储氢技术是扩大氢能应用的关键。AB2 型钛锰基储氢合金具有优异的动力学和活化性能，但其综合储氢性能，尤其是低成本无 V 的钛锰基合金的储氢容量、平台压力和循环稳定性有待进一步优化。因此，我们对 Ti1-xZrxMn0.9Cr0.7Fe0.1 （x = 0.05、0.16、0.20、0.25）的储氢性能进行了系统研究。所有系列合金都含有单一的 C14 型拉维斯相结构。增加 Zr 对 Ti 的替代可提高储氢能力，降低高原压。值得注意的是，x = 0.16 合金的有效储氢能力明显高于其他合金，其平台压力也是最合适的。这种合金的氢含量达到了 1.8 wt%，并表现出卓越的循环稳定性，在 100 次循环后仍能保持 98.6% 的容量。这项研究为优化无钒低成本钛锰基合金的性能提供了理论指导。

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引用次数: 0

Unraveling the oxygen evolution activity of biomass-derived porous carbon plate as self-supported metal-free electrocatalyst for water splitting 揭示生物质衍生多孔碳板作为自支撑无金属电催化剂在水分离中的氧进化活性

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.07.007

Xinghe Zhang , Yujie Wang , Jin Zou , Sushan Zhao , Hongbo Hou , Wenhua Yao , Huaipeng Wang

Developing the efficient and low-cost electrocatalysts derived from biomass is a desired solution to address economy and sustainability challenges of hydrogen production from water electrolysis due to utilizing metal-based catalysts. Herein, the peeled cornstalk-derived porous carbon plates synthesized by salt template-assisted high-temperature pyrolysis are utilized as self-supported metal-free electrocatalysts to unravel the oxygen evolution activity for alkaline water splitting. The resultant PC-700-10 honeycomb carbon catalyst exhibits the superior electrocatalysis for oxygen evolution owning to its high specific surface area of 52.0 m² g⁻¹, suitable micro- and meso-pores, electron-withdrawing pyridinic-N moiety and appropriate balance between hydrophilicity and electroconductivity. Theoretical calculations reveal that the largest energy barrier of forming ∗OOH limits the OER rate and ∗OH oxidation generates the energetically more favorable epoxide intermediate. This finding opens the way to construct the hopeful metal-free OER electrocatalysts via regulating their intrinsic structure, and inspires the applications of waste biomass in the energy-correlated fields.

开发高效、低成本的生物质电催化剂是解决电解水制氢过程中因使用金属催化剂而面临的经济性和可持续性挑战的理想解决方案。在本文中，利用盐模板辅助高温热解合成的去皮玉米秆衍生多孔碳板作为自支撑无金属电催化剂，揭示了碱性水分离的氧进化活性。由于 PC-700-10 蜂窝碳催化剂具有 52.0 m2 g-1 的高比表面积、合适的微孔和中孔、具有电子吸收性的吡啶-N 分子以及亲水性和导电性之间的适当平衡，因此在氧进化方面表现出卓越的电催化性能。理论计算显示，形成 ∗OOH 的最大能量障碍限制了 OER 的速率，而 ∗OH 氧化会产生能量上更有利的环氧化物中间体。这一发现为通过调节其内在结构构建无金属 OER 电催化剂开辟了希望之路，并为废弃生物质在能源相关领域的应用提供了启发。

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引用次数: 0

Grain refinement and phase precipitation simultaneously improve the strength and ductility of ultra-high strength titanium alloy sheets 晶粒细化和相析出同时提高超高强度钛合金板的强度和延展性

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.08.001

Xudong Kang , Zhaoxin Du , Shaojun Wang , Jun Cheng , Zhiyong Yue , Tianhao Gong , Jingshun Liu , Shuzhi Zhang

The simultaneous high strength and high plasticity of metastable-β titanium alloy sheets remains a difficult challenge. In this work, a 1.2 mm thick sheet of Ti–15Mo–3Al-2.7Nb-0.25Si titanium alloy was obtained after rolling and annealing, and then subjected to a duplex-ageing treatment. The pre-ageing temperatures fell in the range of 300–390 °C for 0.5–2h. The re-ageing temperatures were in the range of 500–600 °C. After characterization, it was found that the alloy precipitates ω-phases during the pre-ageing process, and the distribution of such ω-phases evolves unevenly and increases in number with the increase of the pre-ageing temperature. Therefore, the strengthening mechanism of the alloy sheet is mainly α-phase nucleation assisted by ω-phase. Moreover, grain refinement appears as a mechanism to ensure the plasticity of the alloy. Finally the ω-phase evolution law is discussed in detail and the strengthening mechanism of the alloy sheet is also analyzed. At this work, a metastable-β titanium alloy sheet with strength of 1445.75 MPa and elongation of 6.55 % was obtained. This study provides a new idea for the microstructure design and process improvement of the metastable-β titanium alloy sheet.

同时获得高强度和高塑性的易变-β钛合金板材仍然是一项艰巨的挑战。在这项研究中，钛-15Mo-3Al-2.7Nb-0.25Si钛合金板材经轧制和退火后厚度为 1.2 mm，然后进行双相时效处理。预时效温度为 300-390 °C，时间为 0.5-2 小时。再时效温度为 500-600 ℃。表征后发现，合金在预时效过程中会析出ω相，且这种ω相的分布不均匀，数量随预时效温度的升高而增加。因此，合金薄片的强化机制主要是α相在ω相辅助下成核。此外，晶粒细化也是确保合金塑性的一种机制。最后，详细讨论了ω相的演化规律，并分析了合金薄片的强化机制。在这项工作中，获得了强度为 1445.75 兆帕，伸长率为 6.55 % 的可蜕变-β 钛合金薄板。这项研究为可转移-β钛合金板材的微观结构设计和工艺改进提供了新思路。

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引用次数: 0

The effect of metal/non-metal ratio on the microstructure and magnetic properties of (MnFe)x(P0.5Si0.5) microwires 金属/非金属比对（MnFe）x（P0.5Si0.5）微丝微结构和磁性能的影响

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.08.004

Lin Luo , Hongxian Shen , Lunyong Zhang , Zhiliang Ning , Jianfei Sun , Manh-Huong Phan

The effects of metal/non-metal ratio (M/NM = x: 1) on the microstructure and magnetocaloric properties of promising melt-extracted Mn–Fe–P–Si microwires with short heat treatment have been investigated here. More Fe₂P principal phase, which is considered favorite for magnetocaloric effect (MCE), should achieve at low M/NM ratio and the fraction of Fe₂P phase increased with the reduction of x. Meanwhile, the (Mn, Fe)₃Si impurity phase is formed for x = 2.00–1.90 whereas change to (Mn, Fe)₅Si₃ structure for x = 1.85. It's worth noting that a metal deficiency resulted in the thermal hysteresis (T_hys) and the magnetic hysteresis loss (W_y) decreased by ∼40 %., The magnetic transition temperature (T_tran), peak value of isothermal magnetic entropy change (−

Δ S_{iso}^{peak}

), refrigerant capacity (RC) and effective refrigerant capacity (RCE) first increased then decreased with the decrease of x, and reached the maximums at x = 1.90, i.e., 370 K, 26.0 J kg⁻¹ K⁻¹, 367.4 and 339.8 J kg⁻¹, respectively. Therefore, the customizable microstructure and magnetic properties of the melt-extracted (MnFe)_x(P_0.5Si_0.5) microwires will be achievable effectively by tuning M/NM ratio x, and optimized Mn–Fe–P–Si compounds with novel thermomagnetic properties will be obtained.

本文研究了金属/非金属比（M/NM = x：1）对经过短时间热处理的有前途的熔融萃取锰-铁-硅微线的微观结构和磁致性能的影响。在低 M/NM 比时，应形成更多的 Fe2P 主相，这被认为是磁致效应（MCE）的最爱，Fe2P 相的比例随着 x 的减小而增加。值得注意的是，金属的缺乏导致热磁滞（Thys）和磁滞损耗（Wy）减少了 ∼40%。磁转变温度（Ttran）、等温磁熵变化峰值（-ΔSisopeak）、制冷剂容量（RC）和有效制冷剂容量（RCE）随着 x 的减小先增大后减小，在 x = 1.90 时达到最大值，即分别为 370 K、26.0 J kg-1 K-1、367.4 和 339.8 J kg-1。因此，通过调节 M/NM 比 x，可有效实现熔融萃取（MnFe）x（P0.5Si0.5）微丝微结构和磁性能的定制，并获得具有新型热磁性能的优化 Mn-Fe-P-Si 复合物。

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引用次数: 0

Construction of multiple heterogeneous interfaces and oxygen evolution reaction of hollow CoFe bimetallic phosphides derived from MOF template 从 MOF 模板衍生的中空 CoFe 双金属磷化物的多重异质界面构建和氧进化反应

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.09.001

Haiqi Zhang, Qingqing Zhang, Xiaojun Zeng

Rational design of electrocatalysts is the key to achieving sustainable oxygen evolution reaction (OER). The conjugation of metal organic frameworks (MOFs) with different multicomponent materials to precisely construct heterostructures is fascinating but remains a significant challenge due to different interface energies and nucleation kinetics. In this work, hollow multilayer heterogeneous catalyst (CoFeP/CoFeP/NP-C) was constructed using a rigid template sacrifice approach and an ion exchange strategy. By cleverly combining iron-based MOFs (MIL-88A, sacrifice template) nanorods, layered dihydroxides (LDH) nanosheets, and Prussian blue (PB) nancubes to form rich heterojunction and bimetallic phosphide catalysts, and by tuning the reaction kinetics and electron transfer capacities to enrich the active sites, ultimately promoting the intrinsic activity of the catalyst towards OER. Simultaneously, the co-doping of nitrogen and phosphorus in the heterostructure helped to adjust the electronic structure of the heterogeneous catalyst and the conductivity of the matrix, promoting the adsorption and desorption of OER intermediates on the catalyst surface. This work provides a new strategy for designing efficient and stable bimetallic phosphide electrocatalysts.

合理设计电催化剂是实现可持续氧进化反应（OER）的关键。将金属有机框架（MOFs）与不同的多组分材料共轭以精确构建异质结构是一项令人着迷的工作，但由于界面能量和成核动力学的不同，这仍然是一项重大挑战。在这项工作中，采用刚性模板牺牲法和离子交换策略构建了中空多层异质催化剂（CoFeP/CoFeP/NP-C）。通过将铁基 MOFs（MIL-88A，牺牲模板）纳米棒、层状二氢氧化物（LDH）纳米片和普鲁士蓝（PB）纳米管巧妙地结合在一起，形成丰富的异质结和双金属磷化物催化剂，并通过调整反应动力学和电子传递能力来丰富活性位点，最终提高了催化剂对 OER 的内在活性。同时，氮和磷在异质结构中的共掺杂有助于调整异质催化剂的电子结构和基质的导电性，促进 OER 中间产物在催化剂表面的吸附和解吸。这项工作为设计高效稳定的双金属磷化物电催化剂提供了一种新策略。

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引用次数: 0

Enhancement of magnesium aluminate-based nickel and cobalt nanostructured catalysts with iron for improved performance in carbon dioxide methanation 用铁增强铝酸镁基镍和钴纳米结构催化剂，提高二氧化碳甲烷化性能

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.09.003

Mohammad Hosein Rezazadeh , Yalda Ramezani , Fereshteh Meshkani

This study investigates the performance of Ni and Co catalysts based on Fe-promoted MgAl₂O₄ for CO₂ methanation, which is a crucial step in mitigating environmental carbon dioxide levels. The MgAl₂O₄ support was modified with various Fe loading (5, 10, and 15 wt%) and fabricated via a novel coprecipitation technique with the help of ultrasonic waves and chosen as support for 15 wt% Ni and Co active phases. Examination of the BET surface properties of the catalysts showed an increase in surface area in the range of 54–82 m²/g and 73–85 m²/g with an increasing Fe loading for Ni and Co catalysts, respectively. Among the Ni-based catalysts, the 15Ni/10FeMgAl₂O₄ specimen exhibited the best performance (with a 73.31 % CO₂ conversion and 95.61 % selectivity rate) and remarkable lifetime during 10 h at 400 °C due to the better reducibility and the increase in hydrogen consumption. However, a rise in Fe amount to 15 wt% led to a reduction in the CO₂ conversion to 34.43 %. The catalytic outcomes also demonstrated that the presence of Fe in Co/MgAl₂O₄ catalysts negatively affects catalytic performance. The unpromoted Co/MgAl₂O₄ sample demonstrated the best performance, achieving a conversion rate of 52.41 % at 350 °C.

本研究探讨了基于铁促进的 MgAl2O4 的 Ni 和 Co 催化剂在二氧化碳甲烷化方面的性能，甲烷化是降低环境二氧化碳浓度的关键步骤。在超声波的帮助下，通过新型共沉淀技术对 MgAl2O4 载体进行了不同的铁负载量（5、10 和 15 wt%）改性和制造，并选择其作为 15 wt% Ni 和 Co 活性相的载体。对催化剂 BET 表面性质的研究表明，随着镍和钴催化剂铁负载量的增加，其表面积分别在 54-82 m2/g 和 73-85 m2/g 的范围内增加。在镍基催化剂中，15Ni/10FeMgAl2O4 试样的性能最好（二氧化碳转化率为 73.31%，选择性率为 95.61%），在 400 °C 下 10 小时的使用寿命也很长，原因是还原性更好，氢气消耗量增加。然而，当铁元素含量增加到 15 wt% 时，二氧化碳转化率降至 34.43%。催化结果还表明，Co/MgAl2O4 催化剂中铁的存在会对催化性能产生负面影响。未经促进的 Co/MgAl2O4 样品表现出最佳性能，在 350 °C 时的转化率达到 52.41%。

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引用次数: 0

Double effects of recrystallization behavior on grain morphology evolution and mechanical properties of Al/Mg/Al composite plate by hard plate rolling 再结晶行为对硬板轧制铝/镁/铝复合板晶粒形貌演变和力学性能的双重影响

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.07.019

Jia Yang Zhang , Feng Li , Fu Wei Kang , Zi Yi Wang , Lu Sun

Enhancing the bonding strength, optimizing the microstructure and refining the properties represent effective strategies for the fabrication of heterogeneous composite plates. In this study, composite plates of Al/Mg/Al were fabricated through hard plate rolling (HPR) with a reduction in rolling ranging from 40 % to 80 %. The research primarily concentrates on the substrate in the influence of rolling dynamic recrystallization (DRX) behavior on the grain morphology evolution and mechanical properties of AZ31 magnesium alloy sheets during the process. The findings indicate that at a compression amount of 60 %, the composite plate exhibits an ultimate tensile strength (UTS), a maximum elongation (EL) of 12.5 %, and improved interface bonding. Comparative analysis reveals the occurrence of DRX on the Mg side, resulting in the formation of small DRXed grains being generated. With an increase in reduction, DRX is facilitated, leading to an initial rise and subsequent decline in the proportion of DRXed grains. The proliferation of fine grains hinder dislocation movement, thereby reinforcing composite plate. Moreover, an elevation in the degree of recrystallization enhances the initiation of non-basal slip and enhances the plasticity of sheet metal. This study offers valuable scientific guidance and technical assistance for the production of forming high-quality Mg–Al composite plates.

提高结合强度、优化微观结构和改善性能是制造异质复合板的有效策略。在这项研究中，通过硬板轧制（HPR）制造了铝/镁/铝复合板，轧制量减少了 40% 到 80%。研究主要集中在轧制过程中轧制动态再结晶（DRX）行为对 AZ31 镁合金板晶粒形态演变和机械性能影响的基板上。研究结果表明，当压缩量为 60% 时，复合板表现出极限拉伸强度 (UTS)、12.5% 的最大伸长率 (EL) 以及更好的界面结合。对比分析表明，DRX 出现在镁侧，从而形成了小的 DRX 晶粒。随着还原度的增加，DRX 变得更加容易，导致 DRX 化晶粒的比例从最初的上升到随后的下降。细小晶粒的增加阻碍了位错运动，从而强化了复合板。此外，再结晶程度的提高还能促进非基底滑移的产生，增强金属板的塑性。这项研究为生产高质量的镁铝复合板提供了宝贵的科学指导和技术帮助。

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引用次数: 0

Optimization of porous structures via machine learning for solar thermochemical fuel production 通过机器学习优化多孔结构，促进太阳能热化学燃料生产

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-10-01 DOI: 10.1016/j.pnsc.2024.07.024

Da Xu , Lei Zhao , Meng Lin

Porous reactant is the key component in solar thermochemical reactions, significantly affecting the solar energy conversion and fuel production performance. Triply periodic minimal surface (TPMS) structures, with analytical expressions and predictable structure-property relationships, can facilitate the design and optimization of such structures. This work proposes a machine learning-assisted framework to optimize TPMS structures for enhanced reaction efficiency, increased fuel production, and reduced temperature gradients. To mitigate the computational cost of conventional high-throughput optimization, neural network regression models were used to for performance prediction based on input features. The training dataset was generated using a three-dimensional multiphysics model for the thermochemical reduction driven by concentrated solar energy considering fluid flow, heat and mass transfer, and chemical reacions. Both uniform and gradient structures were initially assessed by the three-dimensional model showing gradient design in c and ω were necessary for performance enhancement. Further, with our proposed optimization framework, we found that structures with parameters c₁ = c₂ = 0.5 (uniform in c ) and ω₁ = 0.2, ω₂ = 0.8 (gradient in ω) achieved the highest relative efficiency (f_chem/f_chem,ref) of 1.58, a relative fuel production (Δδ/Δδ_ref) of 7.94, and a max relative temperature gradient (dT/dy)/(dT/dy)_ref of 0.26. Kinetic properties, i.e., bulk diffusion and surface exchange coefficient, were also studied showing that for materilas with slow kinetics, the design space in terms of c and ω were highly limited compared to fast kinetics materials. Our framework is adaptable to diverse porous structures and operational conditions, making it a versatile tool for screening porous structures for solar thermochemical applications. This work has the potential to advance the development of efficient solar fuel production systems and scalable industrial applications in renewable energy technologies.

多孔反应物是太阳能热化学反应的关键成分，对太阳能转换和燃料生产性能有重大影响。三重周期性最小表面（TPMS）结构具有分析表达式和可预测的结构-性能关系，可促进此类结构的设计和优化。本研究提出了一种机器学习辅助框架，用于优化 TPMS 结构，以提高反应效率、增加燃料产量并降低温度梯度。为了降低传统高通量优化的计算成本，我们使用神经网络回归模型根据输入特征进行性能预测。训练数据集是使用一个三维多物理场模型生成的，该模型用于考虑流体流动、传热和传质以及化学反应的聚光太阳能驱动的热化学还原。三维模型对均匀结构和梯度结构进行了初步评估，结果表明 c 和 ω 的梯度设计对提高性能十分必要。此外，在我们提出的优化框架下，我们发现参数 c1 = c2 = 0.5（c 中均匀）和 ω1 = 0.2, ω2 = 0.8（ω 中梯度）的结构实现了最高的相对效率（fchem/fchem,ref）1.58，相对燃料产量（Δδ/Δδref）7.94，以及最大相对温度梯度（dT/dy）/（dT/dy）ref 0.26。对动力学特性（即体积扩散和表面交换系数）的研究还表明，与快速动力学材料相比，对于慢速动力学材料，c 和 ω 的设计空间非常有限。我们的框架适用于不同的多孔结构和操作条件，是筛选太阳能热化学应用多孔结构的多功能工具。这项工作有望推动高效太阳能燃料生产系统的开发和可再生能源技术的可扩展工业应用。

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引用次数: 0

Enhanced air-poisoning resistance in vanadium-based hydrogen storage alloy by addition of Si 通过添加硅增强钒基储氢合金的抗气毒性能

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2024-08-01 DOI: 10.1016/j.pnsc.2024.05.010

Surface poisoning typically leads to the severe capacity degradation and poses a significant challenge to the durability of hydrogen storage materials. In this study, we report a novel approach to enhance the air-poisoning resistance of vanadium-based alloys by introducing of the air-tolerant hydride. Through the addition of 1 at% Si, a small amount of Ti₅Si₃ is induced in V₇₅Ti₁₁Cr₁₃Fe₁, which turns into Ti₅Si₃H_0.9 during the hydrogen sorption cycles. Ti₅Si₃H_0.9 shows high resistance against air, which could serve as the hydrogen-entry window for the bulk. As a result, the (V₇₅Ti₁₁Cr₁₃Fe₁)₉₉Si₁ alloy maintains approximately 85 % of the hydrogen storage capacity after 10 cycles in H₂ + 250 ppm air, in contrast to the near-complete loss of hydrogen sorption activity in Si-free alloy under the same condition.

表面中毒通常会导致严重的容量衰减，并对储氢材料的耐用性构成重大挑战。在本研究中，我们报告了一种通过引入耐空气氢化物来增强钒基合金耐空气中毒性能的新方法。通过添加 1% 的 Si，在 V75Ti11Cr13Fe1 中诱导出少量 Ti5Si3，并在吸氢循环过程中转化为 Ti5Si3H0.9。Ti5Si3H0.9 对空气有很高的阻力，可作为块体的氢进入窗口。因此，(V75Ti11Cr13Fe1)99Si1 合金在 H2 + 250 ppm 空气中循环 10 次后仍能保持约 85% 的储氢能力，而无 Si 合金在相同条件下几乎完全丧失了吸氢活性。

引用次数: 0