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Green preparation of high-efficiency mesoporous MoP electrocatalyst for hydrogen evolution 高效介孔 MoP 氢进化电催化剂的绿色制备方法
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.212
Jiao Li , Yan Shao , Geying Liu , Xuejian Zhang , Xiao Li , Yongtao Li , Zhongmin Su
The production of hydrogen generation catalysts through inexpensive, green and sustainable route is urgently needed in the context of “double carbon”. In this work, a new mesoporous transition metal phosphide (P–MoP@C) as electrocatalytic hydrogen evolution catalyst was prepared by a soft template method using polyoxometalate (POM), biomass gallic acid and ammonium polyphosphate through one-step phosphating and calcination process. The mesoporous structure is formed by organic-organic self-assembly strategy facilitated by strong hydrogen bonding between the pyrogallol group on gallic acid and the block copolymer. P–MoP@C shows good catalytic and stability properties, with overpotentials of 149 and 162 mV in alkaline and acidic solutions, respectively, at a current density of 10 mA cm−2. The mesoporous structure adds up to the quantity of exposed active sites, accelerates the electron transfer rate, and improves the catalytic performance of P–MoP@C. The use of plant polyphenols as a carbon source for the synthesis of green and environmentally friendly hydrogen evolution catalysts provides some reference value for large-scale industrial production.
在 "双碳 "背景下,迫切需要通过廉价、绿色和可持续的途径生产制氢催化剂。本研究采用软模板法,利用聚氧化金属(POM)、生物质没食子酸和聚磷酸铵,通过一步磷化和煅烧过程制备了一种新型介孔过渡金属磷化物(P-MoP@C)作为电催化氢气进化催化剂。在没食子酸上的焦没食子醇基团与嵌段共聚物之间的强氢键作用下,通过有机-有机自组装策略形成了介孔结构。P-MoP@C 具有良好的催化和稳定性能,在碱性和酸性溶液中,电流密度为 10 mA cm-2 时的过电位分别为 149 和 162 mV。介孔结构增加了暴露的活性位点数量,加快了电子转移速度,提高了 P-MoP@C 的催化性能。利用植物多酚作为碳源合成绿色环保的氢气进化催化剂为大规模工业生产提供了一定的参考价值。
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引用次数: 0
Pd/CQDs/TiO2–NH2 composite schottky catalyst for efficient hydrogen production from formic acid dehydrogenation under visible light Pd/CQDs/TiO2-NH2 复合肖特基催化剂用于在可见光下从甲酸脱氢中高效制氢
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.176
Fengqiu Chen , Qiu Wang , Shengda Lin , Huanhu Luo , Wanjin Yu , Wucan Liu , Dang-guo Cheng
The development of photocatalytic materials with good adsorption capacity and high visible light activity is essential for efficient and stable photocatalytic hydrogen production from formic acid dehydrogenation. The wide band gap of TiO2 photocatalyst materials limits their application in the field of visible light catalysis. In this work, a new composite material, Pd/CQDs/TiO2–NH2, is developed. Here, Pd is attached to amine-functionalized mesoporous titanium dioxide modified with carbon quantum dots (CQDs). This configuration is designed to enhance the catalytic activity for formic acid dehydrogenation when exposed to visible light. The Pd/CQDs-1/TiO2–NH2 catalyst exhibited outstanding performance under visible light, achieving a turnover frequency (TOF) of 2666.1 h−1 at 308 K and perfect hydrogen selectivity. Compared to the Pd/TiO2–NH2 catalyst with a TOF of 1715.5 h−1, this is a significant improvement. The data implies that the addition of CQDs significantly increases light efficiency, aids in the separation of photogenerated charge carriers, and enhances hydrogen production. Ultimately, the experiments clarified how the combined action of Pd, CQDs, and TiO2–NH2 synergistically boosts the catalytic dehydrogenation of formic acid under visible light. The findings present an innovative approach to improving Pd/TiO2 schottky materials.
开发具有良好吸附能力和高可见光活性的光催化材料对于甲酸脱氢过程中高效稳定的光催化制氢至关重要。TiO2 光催化剂材料的宽带隙限制了其在可见光催化领域的应用。本研究开发了一种新型复合材料 Pd/CQDs/TiO2-NH2。在这种材料中,钯被附着在用碳量子点(CQDs)修饰的胺功能化介孔二氧化钛上。这种结构旨在提高甲酸在可见光照射下脱氢的催化活性。Pd/CQDs-1/TiO2-NH2 催化剂在可见光下表现出卓越的性能,在 308 K 时的翻转频率(TOF)达到 2666.1 h-1,并具有完美的氢选择性。与 TOF 为 1715.5 h-1 的 Pd/TiO2-NH2 催化剂相比,这是一个显著的进步。这些数据表明,CQDs 的加入大大提高了光效,有助于分离光生电荷载流子,并提高了制氢能力。最终,实验阐明了 Pd、CQDs 和 TiO2-NH2 的联合作用如何在可见光下协同促进甲酸的催化脱氢。这些发现为改进 Pd/TiO2 肖特基材料提供了一种创新方法。
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引用次数: 0
Experimental investigation of heat transfer characteristic and pump power analysis on PEMFC cooling plate with insulating coatings 带隔热涂层的 PEMFC 冷却板的传热特性实验研究和泵功率分析
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.035
Jiyu Li , Shaokang Liu , Haoran Ma , Binghan Wang , Ping Sun
Thermal conductivity of the coolant for liquid cooling fuel cell, which is one of the key factors determining the cooling performance of the cooling system. Nanofluid is considered as desirable coolant due to their high thermal conductivity property, but its electrical property also cause leakage current. In this study, the supersonic plasma spraying technique was used to spray Al2O3 on the inner wall of the cooling channels to make an insulating coating to eliminate leakage current. However, the rough coating surface possibly affect the flow and its thermal resistance also affect the heat transfer. Heat transfer characteristics and pump power of deionized water, alumina nanofluids, and graphene nanofluids were investigated. The results show that, before spraying insulation coating, graphene nanofluid has lowest maximum temperature and index of uniform temperature (IUT) at different pump power conditions, and it has the optimal cooling performance. As the pump power increasing, the effect of pump power on IUT gradually diminishes, the method of increasing pump power consumption to improve temperature uniformity is ineffective. The effective cooling coefficient of graphene nanofluid is highest at the same Re, and the convective heat transfer coefficient increases approximately linearly but not uniformly with increasing Re. After spraying the insulating coating, the maximum temperatures of the cooling plate are slightly reduced at different Re, the average reduction is 0.3 K, heat conduction from heat source by cooling channels slightly decreased, and the pump power of graphene nanofluid slightly increases, it increases by up to 2.7% at Re = 1500. It indicates that insulating coating do not have a significant effect on heat transfer and flow.
液冷燃料电池冷却液的导热性是决定冷却系统冷却性能的关键因素之一。纳米流体因其高导热性能而被认为是理想的冷却剂,但其电气特性也会导致泄漏电流。本研究采用超音速等离子喷涂技术在冷却通道内壁喷涂 Al2O3,以形成绝缘涂层来消除泄漏电流。然而,粗糙的涂层表面可能会影响流动,其热阻也会影响传热。研究了去离子水、氧化铝纳米流体和石墨烯纳米流体的传热特性和泵功率。结果表明,在喷涂隔热涂层之前,石墨烯纳米流体在不同泵功率条件下的最高温度和均匀温度指数(IUT)最低,具有最佳的冷却性能。随着泵功率的增加,泵功率对 IUT 的影响逐渐减小,增加泵功率消耗来提高温度均匀性的方法无效。在相同的 Re 值下,石墨烯纳米流体的有效冷却系数最高,对流换热系数近似线性增加,但随 Re 值的增加并不均匀。喷涂隔热涂层后,在不同的 Re 值下,冷却板的最高温度略有降低,平均降低 0.3 K,冷却通道从热源传导的热量略有减少,石墨烯纳米流体的泵功率略有增加,在 Re = 1500 时增加了 2.7%。这表明绝缘涂层对传热和流动的影响不大。
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引用次数: 0
Electrochemical hydrogen production through anion exchange membrane water electrolysis (AEMWE): Recent progress and associated challenges in hydrogen production 通过阴离子交换膜电解水(AEMWE)进行电化学制氢:制氢领域的最新进展和相关挑战
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.143
Waqad Ul Mulk , A. Rashid A. Aziz , Mhadi A. Ismael , Asghar Ali Ghoto , Syed Awais Ali , Mohammad Younas , Fausto Gallucci
Hydrogen (H2) is developing as a promising renewable energy carrier with the potential to reduce greenhouse gas emissions. Anion exchange membrane water electrolysis (AEMWE) provides a promising solution to the current human energy crisis by combining the advantages of both alkaline water electrolysis (AWE) and proton exchange membrane water electrolysis (PEMWE) and can be coupled with renewable energy sources to produce green H2. However, the AEMWE technology remains in the developmental stage and needs further research to compete with AWE, PEMWE, and solid oxide electrolysis cells (SOEC) regarding performance and durability. The current review discusses the recent progress of AWE, PEMWE, SOEC, and AEMWE with their associated challenges and drawbacks. A state-of-the-art critical analysis on anion exchange membranes (AEMs) with their mechanical properties, PGM and non-PGM based electrocatalysts for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), the performance of different electrolytes with non-PGM electrocatalysts in the AEMWE and the effect of various operating parameters such as temperature, pressure, and electrolyte flow rate on the performance of the AEMWE system are presented in detail. The techno-economic and environmental assessment of AEMWE technology for H2 production indicates that composite mixed matrix AEMs which could work at high temperature and pressure will provide sustainable opportunities in the automobile industry.
氢气(H2)正在发展成为一种前景广阔的可再生能源载体,具有减少温室气体排放的潜力。阴离子交换膜水电解法(AEMWE)结合了碱性水电解法(AWE)和质子交换膜水电解法(PEMWE)的优点,为解决目前的人类能源危机提供了一种前景广阔的解决方案,并可与可再生能源结合生产绿色 H2。然而,AEMWE 技术仍处于发展阶段,需要进一步研究,才能在性能和耐用性方面与 AWE、PEMWE 和固体氧化物电解槽 (SOEC) 竞争。本综述讨论了 AWE、PEMWE、SOEC 和 AEMWE 的最新进展及其相关挑战和缺点。文中详细分析了阴离子交换膜(AEM)的机械性能、基于 PGM 和非 PGM 的氢进化反应(HER)和氧进化反应(OER)电催化剂、AEMWE 中不同电解质与非 PGM 电催化剂的性能,以及温度、压力和电解质流速等各种操作参数对 AEMWE 系统性能的影响。用于生产 H2 的 AEMWE 技术的技术经济和环境评估表明,可在高温高压下工作的复合混合基质 AEM 将为汽车行业提供可持续发展的机会。
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引用次数: 0
Experimental investigation on the effect of slickwater on methane adsorption/desorption/diffusion and pore structure of shale 浮油对页岩甲烷吸附/解吸/扩散及孔隙结构影响的实验研究
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.172
Jun Li , Zhengfu Ning , Jianhao Wang , Gang Wang , Qiming Huang , Kangbo Zhao
After the slickwater fracturing method is adopted, a portion of the slickwater remains in the reservoir, impacting shale gas production. To address this limitation, shale samples from the Longmaxi Formation were soaked and washed with varying concentration of polyacrylamide in slickwater under different pressures to simulate the flowback process following slickwater fracturing. The effects of slickwater on methane adsorption, desorption, and diffusion in shale were examined through isothermal adsorption experiments, while the evolution of shale pore structure was assessed using low-temperature nitrogen adsorption experiments. Results indicate that slickwater adheres to the surfaces of microcracks and macropores, creating new small pores and increasing the specific surface area and pore volume of macropores with sizes exceeding 5 nm. Slickwater may also block pore throats, causing some open or semi-open pores to become closed, thereby reducing the accessible specific surface area and pore volume and hindering the adsorption, desorption, and diffusion of methane. At a pressure of 9 MPa, treatment with 0.7% slickwater reduces the Langmuir volume to 40% of that of the original shale, while the diffusion coefficient decreases to 47% of its original value. Furthermore, as soaking pressure or concentration increases, the hysteresis of methane desorption in shale initially decreases before subsequently increasing. The findings of this research provide theoretical guidance for the further enhancement of shale gas development.
采用滑油压裂方法后,部分滑油会残留在储层中,影响页岩气的生产。针对这一局限性,在不同压力下用不同浓度的聚丙烯酰胺浸泡和洗涤龙马溪地层的页岩样本,以模拟滑油压裂后的回流过程。通过等温吸附实验研究了浮油对甲烷在页岩中吸附、解吸和扩散的影响,同时利用低温氮吸附实验评估了页岩孔隙结构的演变。结果表明,滑水会附着在微裂缝和大孔隙的表面,形成新的小孔隙,并增加尺寸超过 5 纳米的大孔隙的比表面积和孔隙体积。粘稠水还可能堵塞孔隙喉管,使一些开放或半开放的孔隙变得封闭,从而减少可利用的比表面积和孔隙体积,阻碍甲烷的吸附、解吸和扩散。在 9 兆帕的压力下,用 0.7% 的滑石水处理后,朗缪尔体积减少到原始页岩的 40%,而扩散系数则减少到原始值的 47%。此外,随着浸泡压力或浓度的增加,页岩中甲烷解吸的滞后现象最初会减小,随后会增大。该研究成果为进一步提高页岩气开发水平提供了理论指导。
{"title":"Experimental investigation on the effect of slickwater on methane adsorption/desorption/diffusion and pore structure of shale","authors":"Jun Li ,&nbsp;Zhengfu Ning ,&nbsp;Jianhao Wang ,&nbsp;Gang Wang ,&nbsp;Qiming Huang ,&nbsp;Kangbo Zhao","doi":"10.1016/j.ijhydene.2024.11.172","DOIUrl":"10.1016/j.ijhydene.2024.11.172","url":null,"abstract":"<div><div>After the slickwater fracturing method is adopted, a portion of the slickwater remains in the reservoir, impacting shale gas production. To address this limitation, shale samples from the Longmaxi Formation were soaked and washed with varying concentration of polyacrylamide in slickwater under different pressures to simulate the flowback process following slickwater fracturing. The effects of slickwater on methane adsorption, desorption, and diffusion in shale were examined through isothermal adsorption experiments, while the evolution of shale pore structure was assessed using low-temperature nitrogen adsorption experiments. Results indicate that slickwater adheres to the surfaces of microcracks and macropores, creating new small pores and increasing the specific surface area and pore volume of macropores with sizes exceeding 5 nm. Slickwater may also block pore throats, causing some open or semi-open pores to become closed, thereby reducing the accessible specific surface area and pore volume and hindering the adsorption, desorption, and diffusion of methane. At a pressure of 9 MPa, treatment with 0.7% slickwater reduces the Langmuir volume to 40% of that of the original shale, while the diffusion coefficient decreases to 47% of its original value. Furthermore, as soaking pressure or concentration increases, the hysteresis of methane desorption in shale initially decreases before subsequently increasing. The findings of this research provide theoretical guidance for the further enhancement of shale gas development.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 871-882"},"PeriodicalIF":8.1,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Modernization of inverters for adaptation of hydrogen fuel cells 逆变器现代化以适应氢燃料电池
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.10.402
S.V. Myatezh, P.S. Lisitsyn
As part of solving the problem of creating an autonomous source of alternating current electrical energy based on hydrogen fuel cells, the possibilities of preliminary correction of voltage and current shapes of static inverters through the use of power multi-winding transformers are being explored. The value of such correction is further determined by the significant simplification of the selection of elements of filtering devices and pulse-width modulation algorithms necessary to achieve the required parameters of the quality of electrical energy and equalize the current load on stacks of hydrogen fuel cells used as the primary source of DC electrical energy. The advantage of multi-level inverters based on power multi-winding transformers with branched magnetic circuits and the feasibility of combining three single-phase inverters into one three-phase inverter based on three-rod transformers with amplitude modulation of magnetic fluxes and connection of secondary windings in a triangle are shown. An optimization problem of minimizing voltage harmonic coefficients has been formulated and solved, and a circuit solution for a multi-level power frequency inverter has been proposed to create a three-phase power source, which implements preliminary equalization of the current load to preserve the design service life of hydrogen fuel cells.
为了解决以氢燃料电池为基础的自主交流电源问题,目前正在探索通过使用功率多绕组变压器对静态逆变器的电压和电流形状进行初步校正的可能性。为了达到所需的电能质量参数,并均衡作为主要直流电能来源的氢燃料电池堆上的电流负载,滤波装置元件和脉宽调制算法的选择必须大大简化,这进一步决定了这种校正的价值。基于带分支磁路的功率多绕组变压器的多电平逆变器的优势,以及将三个单相逆变器合并为一个三相逆变器的可行性,均以带磁通调幅和三角形二次绕组连接的三杆变压器为基础。提出并解决了电压谐波系数最小化的优化问题,并提出了多电平工频逆变器的电路解决方案,以创建三相电源,实现电流负载的初步均衡,从而保持氢燃料电池的设计使用寿命。
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引用次数: 0
Phase field-lattice Boltzmann method investigation of particle morphology evolution in slush hydrogen during convective freezing and melting 对流冻结和熔化过程中泥氢颗粒形态演变的相场-晶格玻尔兹曼法研究
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.013
Wan Guo , Fushou Xie , Yang Yu , Di Yang , Yanzhong Li
Freezing-thawing is one of the prevalent and pragmatic approach for the preparation of slush hydrogen. Understanding how production parameters affect the evolution of slush hydrogen particles is crucial for optimizing its efficiency. This study develops a two-dimensional Phase Field-Lattice Boltzmann Method (PF-LBM) to investigate the solidification and melting behavior of individual slush hydrogen particle under dynamic flow conditions. The proposed model integrates the Ginzburg-Landau theoretical phase-field model with a D2Q9 single-relaxation LBM. The variation of the phase and temperature fields of hydrogen particle during the freezing and melting process is investigated, and the role of vortices in shaping the profile of dendrites is found. Differences in dendrite growth at different flow rates and equilibrium temperatures are analyzed, and the variation in solid content is given. This study explores the mesoscopic mechanisms of slush hydrogen particle in a flowing field and provides theoretical guidance for the dynamic preparation of high-quality slush hydrogen.
冷冻-解冻是制备氢泥的一种普遍而实用的方法。了解生产参数如何影响氢泥颗粒的演变对于优化其效率至关重要。本研究开发了一种二维相场-晶格玻尔兹曼法(PF-LBM)来研究动态流动条件下单个氢泥颗粒的凝固和熔化行为。所提出的模型将金兹堡-朗道理论相场模型与 D2Q9 单松弛 LBM 相集成。研究了氢粒子在冻结和熔化过程中相场和温度场的变化,发现了涡流在形成枝晶轮廓中的作用。分析了不同流速和平衡温度下枝晶生长的差异,并给出了固体含量的变化。该研究探索了流动场中淤积氢粒子的介观机制,为高质量淤积氢的动态制备提供了理论指导。
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引用次数: 0
Cavern integrity under cyclic underground hydrogen storage in heterogeneous Brazilian pre-salt formations 巴西盐前异质地层循环地下储氢条件下的岩洞完整性
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.152
Williams Dias , Cristian Mejia , Deane Roehl (Corresponding author)
Transitioning to cleaner energy sources is crucial for mitigating carbon dioxide emissions and addressing global energy challenges. Hydrogen has emerged as a solution, particularly due to its versatile applications in energy storage and generation. This research focuses on the hydrogen storage process in the Brazilian pre-salt caverns. It is motivated by its favorable characteristics, such as low permeability, creep behavior, self-healing, and competitive cost of salt caverns compared to other repositories. Hydrogen thermodynamics follows a diabatic solution that updates gas temperature and pressure in real time through a link between the CoolProp library and the in-house multiphysics and multiscale framework GeMA. Moreover, the research incorporates salt heterogeneities based on the well-log data from the Tupi field, providing a more accurate representation of Brazilian pre-salt field conditions and how different salt layers may affect the overall system. This approach allows for a comprehensive analysis of the cavern's response to hydrogen injection/discharge cycles, addressing both thermodynamic factors and geological variabilities often neglected by previous studies. The results demonstrated that salt rock heterogeneities may potentialize the extension of the zone with compromised integrity and induce significant permeability changes. It also offers valuable insights into the specific behavior of each type of salt rock during the hydrogen cyclic storage process.
向清洁能源过渡对于减少二氧化碳排放和应对全球能源挑战至关重要。氢已成为一种解决方案,特别是由于其在能源储存和发电方面的广泛应用。这项研究的重点是巴西盐前岩洞中的氢储存过程。这是因为盐洞具有低渗透性、蠕变行为、自愈性等有利特性,而且与其他储存库相比,盐洞的成本具有竞争力。氢气热力学遵循一种非饱和解决方案,通过 CoolProp 库与内部多物理场和多尺度框架 GeMA 之间的链接,实时更新气体温度和压力。此外,研究还根据图皮油田的井记录数据纳入了盐的异质性,更准确地反映了巴西前盐田的条件以及不同盐层可能对整个系统产生的影响。通过这种方法,可以全面分析岩洞对注氢/放氢循环的反应,解决以往研究经常忽略的热力学因素和地质变化问题。研究结果表明,盐岩的异质性可能会使完整性受损的区域扩展,并引起显著的渗透性变化。该研究还为了解各类盐岩在氢气循环存储过程中的具体行为提供了宝贵的见解。
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引用次数: 0
Prediction of electrochemical properties of La–Y–Ni-based hydrogen storage alloys based on machine learning 基于机器学习的 La-Y-Ni 基储氢合金电化学特性预测
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.113
Yang Zhang , Yuanyuan Bai , Jin Xu , Rufei Wei
La–Y–Ni-based hydrogen storage alloys, renowned for their high hydrogen capacity and chemical stability, show significant developmental potential. However, their development is heavily reliant on extensive and costly experimental work. This study established regression models to predict three key properties—electrochemical capacity (0.2C), cyclic stability (80%Age), and high-rate discharge performance (1C)—using Random Forest (RF), Extreme Gradient Boosting (XGB), and Ridge regression (Ridge) algorithms. The RF algorithm outperformed the others, with test set R2 values exceeding 0.8 for all properties. Using SHapley Additive exPlanations (SHAP) for model interpretation, this study quantitatively analyzed the optimal models. Under the constraint of the total mass ratio of elements on the A side and B side being fixed at 100, this study analyzed the optimal Mn + Al intervals for replacing Ni on the B side and the optimal Y and Y + Ce intervals for replacing La on the A side.
La-Y-Ni 基储氢合金以其高容量氢和化学稳定性而闻名,显示出巨大的发展潜力。然而,它们的开发在很大程度上依赖于大量昂贵的实验工作。本研究利用随机森林(RF)、极端梯度提升(XGB)和岭回归(Ridge)算法建立了回归模型,以预测三种关键性能--电化学容量(0.2C)、循环稳定性(80%Age)和高速放电性能(1C)。RF 算法的性能优于其他算法,所有属性的测试集 R2 值均超过 0.8。本研究使用 SHapley Additive exPlanations(SHAP)进行模型解释,对最优模型进行了定量分析。在 A 侧和 B 侧元素总质量比固定为 100 的约束条件下,本研究分析了在 B 侧替代 Ni 的最佳 Mn + Al 间隔,以及在 A 侧替代 La 的最佳 Y 和 Y + Ce 间隔。
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引用次数: 0
Au nanoparticle-sensitized nitrogen-doped carbon applied for localized surface plasmon enhanced hydrogen evolution reaction 金纳米粒子敏化的掺氮碳应用于局部表面等离子体增强型氢进化反应
IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-11-16 DOI: 10.1016/j.ijhydene.2024.11.207
Tong Liang, Yujie Tang, Yunqi Song, Kemin Xie, Yan Ma, Yao Yao
Carbon-supported metal nanoparticles are indispensable catalysts to enabling catalytic water splitting technologies because of their unique size-dependent properties and strong metal-support interactions. Herein, we proposed a two-step synthesis strategy, using imine-type covalent organic frameworks (COFs) as a platform to synthesize nitrogen-doped carbon-supported Au with ultra-high specific surface area through the high-temperature pyrolysis. Thanks for the polarity of imine, the growth of Au NPs in Aux/NC are ultrafine, monodispersed, and the size of Au can be precisely controlled by adjusting the amount of the metal precursor during the carbothermal reaction. Such framework structure with numerous active sites provided by the COFs renders Aux/NC ultrahigh catalytic activity and durability for hydrogen evolution reaction (HER) in acid electrolyte. Most significantly, when illumination occurs, Au5nm/NC catalyst presents a reduced HER overpotential from 416 mV to 43 mV and a shrunken charge-transfer resistance from 258 to 17 Ω, making the Au5nm/NC a promising stable catalyst for the LSPR promoted hydrogen evolution reaction.
碳支撑金属纳米颗粒因其独特的尺寸依赖性和强大的金属-支撑相互作用而成为催化水分离技术不可或缺的催化剂。在此,我们提出了一种两步合成策略,以亚胺型共价有机框架(COFs)为平台,通过高温热解合成具有超高比表面积的氮掺杂碳支撑金。由于亚胺的极性,Aux/NC 中生长的 Au NPs 具有超细、单分散的特点,并且在碳热反应过程中可以通过调整金属前驱体的量来精确控制 Au 的尺寸。这种框架结构加上 COF 提供的大量活性位点,使得 Aux/NC 在酸性电解质中进行氢进化反应(HER)时具有超高的催化活性和耐久性。最重要的是,当光照发生时,Au5nm/NC 催化剂的氢进化反应过电位从 416 mV 降至 43 mV,电荷转移电阻从 258 Ω 降至 17 Ω,使 Au5nm/NC 成为 LSPR 促进氢进化反应的稳定催化剂。
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引用次数: 0
期刊
International Journal of Hydrogen Energy
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