International Journal of Hydrogen Energy最新文献_第10页

Improved hydrogen storage capacity and cyclic properties of TiCr(FeV80) alloys by heat treatment and Ce doping 通过热处理和掺杂 Ce 提高 TiCr（FeV80）合金的储氢能力和循环特性

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.114

Xiaoxuan Zhang , Houqun Xiao , Songsong Li , Ruizhu Tang , Chenyu Li , Yuehai Li , Huazhou Hu , Qingjun Chen

V-based BCC solid solution alloys stand out for their exceptional hydrogen storage capacity at room temperature, yet they encounter obstacles in reversibility, cost-efficiency, and stability, hindering their widespread applications. In this work, a low-cost and high-performance Ti₃₁Cr₃₅(FeV80)₃₄ alloy was prepared by heat treatment and Ce doping with an effective dehydriding capacity of 2.28 wt% and a capacity retention rate of 93.2% after 300 cycles. Analysis using XRD and SEM reveals that heat treatment significantly reduces the accumulation of the C14 Laves phase, while Ce doping mitigates the accumulation of Ti-rich phases, thereby enhancing the compositional uniformity of the alloy. Notably, after heat treatment and Ce doping, the slope factor in the PCT curve has dropped significantly from 1.58 to 0.36, leading to an increase in reversible hydrogen storage capacity from 2.03 to 2.28 wt%. Furthermore, the dehydriding enthalpy value of the Ti₃₁Cr₃₅(FeV80)₃₄ alloy has decreased from 39.16 to 37.91 kJ/mol. Remarkably, the cycling performance of the alloy, following 1 wt% Ce doping, exhibits excellent stability. This stability is primarily attributed to the enhancement of the alloy's powdering resistance through Ce doping, which also preserves the metallic state content of Ti, Cr, and V during the cycling process. This advancement holds significant promise for the development of cost-effective and reliable hydrogen storage alloys.

钒基 BCC 固溶体合金在室温下具有优异的储氢能力，但在可逆性、成本效益和稳定性方面存在障碍，阻碍了其广泛应用。本研究通过热处理和掺杂 Ce 的方法制备了一种低成本、高性能的 Ti31Cr35(FeV80)34 合金，其有效脱水容量为 2.28 wt%，循环 300 次后容量保持率为 93.2%。利用 XRD 和 SEM 进行的分析表明，热处理显著减少了 C14 Laves 相的积累，而 Ce 掺杂则减轻了富钛相的积累，从而提高了合金的成分均匀性。值得注意的是，经过热处理和掺杂 Ce 后，PCT 曲线的斜率因子从 1.58 显著下降到 0.36，从而使可逆储氢能力从 2.03 wt% 提高到 2.28 wt%。此外，Ti31Cr35(FeV80)34 合金的脱水焓值从 39.16 kJ/mol 降至 37.91 kJ/mol。值得注意的是，在掺入 1 wt% Ce 后，合金的循环性能表现出卓越的稳定性。这种稳定性主要归功于通过掺杂 Ce 提高了合金的抗粉化性能，同时在循环过程中保持了 Ti、Cr 和 V 的金属态含量。这一进步为开发具有成本效益且可靠的储氢合金带来了重大希望。

{"title":"Improved hydrogen storage capacity and cyclic properties of TiCr(FeV80) alloys by heat treatment and Ce doping","authors":"Xiaoxuan Zhang , Houqun Xiao , Songsong Li , Ruizhu Tang , Chenyu Li , Yuehai Li , Huazhou Hu , Qingjun Chen","doi":"10.1016/j.ijhydene.2024.11.114","DOIUrl":"10.1016/j.ijhydene.2024.11.114","url":null,"abstract":"<div><div>V-based BCC solid solution alloys stand out for their exceptional hydrogen storage capacity at room temperature, yet they encounter obstacles in reversibility, cost-efficiency, and stability, hindering their widespread applications. In this work, a low-cost and high-performance Ti<sub>31</sub>Cr<sub>35</sub>(FeV80)<sub>34</sub> alloy was prepared by heat treatment and Ce doping with an effective dehydriding capacity of 2.28 wt% and a capacity retention rate of 93.2% after 300 cycles. Analysis using XRD and SEM reveals that heat treatment significantly reduces the accumulation of the C14 Laves phase, while Ce doping mitigates the accumulation of Ti-rich phases, thereby enhancing the compositional uniformity of the alloy. Notably, after heat treatment and Ce doping, the slope factor in the PCT curve has dropped significantly from 1.58 to 0.36, leading to an increase in reversible hydrogen storage capacity from 2.03 to 2.28 wt%. Furthermore, the dehydriding enthalpy value of the Ti<sub>31</sub>Cr<sub>35</sub>(FeV80)<sub>34</sub> alloy has decreased from 39.16 to 37.91 kJ/mol. Remarkably, the cycling performance of the alloy, following 1 wt% Ce doping, exhibits excellent stability. This stability is primarily attributed to the enhancement of the alloy's powdering resistance through Ce doping, which also preserves the metallic state content of Ti, Cr, and V during the cycling process. This advancement holds significant promise for the development of cost-effective and reliable hydrogen storage alloys.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 341-350"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657342","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

Direct synthesis of liquid hydrocarbons from CO2 and H2 over bifunctional ZnCrOx-НZSM-5 combined and composite catalysts in a single reactor 在单一反应器中通过双功能 ZnCrOx-НZSM-5 组合和复合催化剂从 CO2 和 H2 直接合成液态碳氢化合物

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.023

Zareta M. Matieva, Yulia M. Snatenkova, Natalia V. Kolesnichenko, Konstantin I. Dement'ev

A one-stage synthesis of gasoline fraction from CO₂ and H₂ was carried out on Zn–Cr–oxide-zeolite combined and composite catalysts. It was found that after oxidative and reduction treatment the catalysts contain ZnO and ZnCr₂O₄ phases. The one-step coprecipitation of zinc and chromium salts in the presence of zeolite allows obtaining an active bifunctional composite catalyst, each particle of which contains Zn–Cr oxide and zeolite components. A synergistic catalysis due to a closer distance of metal and acid sites increased the efficiency of such a catalyst in CO₂ hydrogenation. It was found that the optimal temperature of oxidative activation of the composite catalyst is 400 °C. With an increase in the temperature of oxidative treatment of the composite catalyst from 400 to 500 °C, part of the zinc leaves the structure of the non-stoichiometric spinel and leads to a decrease in the basicity of the catalyst, which is responsible for the activation of CO₂ on surface oxygen vacancies. Agglomerated ZnO particles blocked the pores and reduced their volume, as well as the specific surface of the catalyst. At the same time, the total acidity of the catalyst decreased. ZnO-species, which have hydrogenating activity, under the reaction conditions removed alkenes from the reaction cycle and thereby reduced the C₅₊–selectivity of the composite catalyst. Among the studied catalysts, the ZnCrO_x-НZSM-5/Al₂O₃(400) composite catalyst in the tail-gas recirculation mode at 380 °C and 10 MPa demonstrated high CO₂ conversion of 25% and high selectivity for C₅₊–HCs of 53 wt% with a high content of isoalkanes 71 wt% for 60 h. The methane content in the tail-gas did not exceed 3 vol%. The results obtained will be used to develop approaches to creating effective catalysts for one-stage CO₂ hydrogenation into valuable petrochemical products.

在 Zn-Cr-oxide-zeolite 组合催化剂和复合催化剂上进行了二氧化碳和 H2 一阶段合成汽油馏分的研究。研究发现，经过氧化和还原处理后，催化剂中含有氧化锌和 ZnCr2O4 相。在沸石存在下一步共沉淀锌盐和铬盐可获得活性双功能复合催化剂，其中每个颗粒都含有氧化锌铬和沸石成分。由于金属位点和酸位点之间的距离更近，从而产生了协同催化作用，提高了这种催化剂在二氧化碳加氢过程中的效率。研究发现，复合催化剂的最佳氧化活化温度为 400 ℃。随着复合催化剂氧化处理温度从 400 ℃ 升至 500 ℃，部分锌离开了非共沸尖晶石结构，导致催化剂碱性降低，从而使二氧化碳在表面氧空位上活化。聚集的氧化锌颗粒堵塞了孔隙，减少了孔隙容积，也降低了催化剂的比表面。同时，催化剂的总酸度也降低了。在反应条件下，具有氢化活性的 ZnO 种会从反应循环中去除烯烃，从而降低复合催化剂的 C5+ 选择性。在所研究的催化剂中，ZnCrOx-НZSM-5/Al2O3(400) 复合催化剂在 380 °C 和 10 兆帕的尾气再循环模式下，60 小时的 CO2 转化率高达 25%，C5+-HCs 选择性高达 53 wt%，异构烷烃含量高达 71 wt%。研究结果将用于开发有效的催化剂，用于将二氧化碳加氢转化为有价值的石油化工产品。

{"title":"Direct synthesis of liquid hydrocarbons from CO2 and H2 over bifunctional ZnCrOx-НZSM-5 combined and composite catalysts in a single reactor","authors":"Zareta M. Matieva, Yulia M. Snatenkova, Natalia V. Kolesnichenko, Konstantin I. Dement'ev","doi":"10.1016/j.ijhydene.2024.11.023","DOIUrl":"10.1016/j.ijhydene.2024.11.023","url":null,"abstract":"<div><div>A one-stage synthesis of gasoline fraction from CO<sub>2</sub> and H<sub>2</sub> was carried out on Zn–Cr–oxide-zeolite combined and composite catalysts. It was found that after oxidative and reduction treatment the catalysts contain ZnO and ZnCr<sub>2</sub>O<sub>4</sub> phases. The one-step coprecipitation of zinc and chromium salts in the presence of zeolite allows obtaining an active bifunctional composite catalyst, each particle of which contains Zn–Cr oxide and zeolite components. A synergistic catalysis due to a closer distance of metal and acid sites increased the efficiency of such a catalyst in CO<sub>2</sub> hydrogenation. It was found that the optimal temperature of oxidative activation of the composite catalyst is 400 °C. With an increase in the temperature of oxidative treatment of the composite catalyst from 400 to 500 °C, part of the zinc leaves the structure of the non-stoichiometric spinel and leads to a decrease in the basicity of the catalyst, which is responsible for the activation of CO<sub>2</sub> on surface oxygen vacancies. Agglomerated ZnO particles blocked the pores and reduced their volume, as well as the specific surface of the catalyst. At the same time, the total acidity of the catalyst decreased. ZnO-species, which have hydrogenating activity, under the reaction conditions removed alkenes from the reaction cycle and thereby reduced the C<sub>5+</sub>–selectivity of the composite catalyst. Among the studied catalysts, the ZnCrO<sub>x</sub>-НZSM-5/Al<sub>2</sub>O<sub>3</sub>(400) composite catalyst in the tail-gas recirculation mode at 380 °C and 10 MPa demonstrated high CO<sub>2</sub> conversion of 25% and high selectivity for C<sub>5+</sub>–HCs of 53 wt% with a high content of isoalkanes 71 wt% for 60 h. The methane content in the tail-gas did not exceed 3 vol%. The results obtained will be used to develop approaches to creating effective catalysts for one-stage CO<sub>2</sub> hydrogenation into valuable petrochemical products.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 320-330"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657194","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

Oxidation kinetics and electrical properties of oxide scales formed under exposure to air and Ar–H2-H2O atmospheres on the Crofer 22 H ferritic steel for high-temperature applications such as interconnects in solid oxide cell stacks 用于高温应用（如固体氧化物电池堆中的互连器件）的 Crofer 22 H 铁素体钢在空气和 Ar-H2-H2O 大气中形成的氧化鳞片的氧化动力学和电气特性

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.091

Tomasz Brylewski , Sebastian Molin , Mirosław Stygar , Maciej Bik , Piotr Jeleń , Maciej Sitarz , Aleksander Gil , Ming Chen , Peter Vang Hendriksen

A 100 h isothermal oxidation kinetics study for Crofer 22H was conducted in air and the Ar–H₂-H₂O gas mixture (p(H₂)/p(H₂O) = 94/6) in the range of 973–1123 K. The parabolic rate constant was independent of oxygen partial pressure in the range from 6.2 × 10⁻²⁴ to 0.21 atm at 1023 and 1073 K, while at 973 and 1123 K it was higher in air than in Ar–H₂-H₂O. The scales consisted of Cr₂O₃ and manganese chromium spinel with an Mn:Cr ratio dependent on the oxidation conditions. Cross-scale resistance was evaluated with regards to the application of the steel in solid oxide fuel cells using a number of methods, including X-ray diffraction, scanning electron microscopy, confocal Raman imaging and area-specific resistance measurements.

在空气和 Ar-H2-H2O 混合气体（p(H2)/p(H2O) = 94/6）中，在 973-1123 K 的范围内对 Crofer 22H 进行了 100 小时等温氧化动力学研究。在 1023 和 1073 K 时，抛物线速率常数在 6.2 × 10-24 到 0.21 atm 的范围内与氧分压无关，而在 973 和 1123 K 时，空气中的速率常数高于 Ar-H2-H2O 中的速率常数。鳞片由 Cr2O3 和锰铬尖晶石组成，锰铬比取决于氧化条件。采用 X 射线衍射、扫描电子显微镜、共焦拉曼成像和特定区域电阻测量等多种方法，对这种钢在固体氧化物燃料电池中的应用进行了跨尺度电阻评估。

{"title":"Oxidation kinetics and electrical properties of oxide scales formed under exposure to air and Ar–H2-H2O atmospheres on the Crofer 22 H ferritic steel for high-temperature applications such as interconnects in solid oxide cell stacks","authors":"Tomasz Brylewski , Sebastian Molin , Mirosław Stygar , Maciej Bik , Piotr Jeleń , Maciej Sitarz , Aleksander Gil , Ming Chen , Peter Vang Hendriksen","doi":"10.1016/j.ijhydene.2024.11.091","DOIUrl":"10.1016/j.ijhydene.2024.11.091","url":null,"abstract":"<div><div>A 100 h isothermal oxidation kinetics study for Crofer 22H was conducted in air and the Ar–H<sub>2</sub>-H<sub>2</sub>O gas mixture (p(H<sub>2</sub>)/p(H<sub>2</sub>O) = 94/6) in the range of 973–1123 K. The parabolic rate constant was independent of oxygen partial pressure in the range from 6.2 × 10<sup>−24</sup> to 0.21 atm at 1023 and 1073 K, while at 973 and 1123 K it was higher in air than in Ar–H<sub>2</sub>-H<sub>2</sub>O. The scales consisted of Cr<sub>2</sub>O<sub>3</sub> and manganese chromium spinel with an Mn:Cr ratio dependent on the oxidation conditions. Cross-scale resistance was evaluated with regards to the application of the steel in solid oxide fuel cells using a number of methods, including X-ray diffraction, scanning electron microscopy, confocal Raman imaging and area-specific resistance measurements.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 209-222"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigations of a micro-thermo-photovoltaic system fuelled with ammonia/hydrogen under extreme operational conditions 研究极端运行条件下以氨/氢为燃料的微型热电系统

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.10.410

He Zhao, Dan Zhao, Yunpeng Su, Sid Becker, Yiheng Guan

The present study is concerned with numerical investigations on the electrical power output, and NO emissions of an ammonia/hydrogen fuelled micro-thermo-photovoltaic (MTPV) system under extreme operational conditions. For this, three critical parameters are identified and examined. They include: (1) the inlet velocity, (2) the inlet equivalence ratio, and (3) the mole blending ratio of hydrogen. Increasing the inlet velocity markedly raises the electrical power output of the MTPV system. At lower inlet velocities, a higher background temperature helps reducing NO emissions (NO emissions at 2 m/s and 200K are 5.5% higher than at 350K), whereas at higher inlet velocities, lower background temperatures are more effective in reducing NO emissions (NO emissions at 12 m/s and 350K are 6% higher than at 200K). The electrical power output of the MTPV system is maximized, when the inlet equivalence ratio is set to 0.9, yielding a total power output of 15.2W. For optimizing energy efficiencies, an inlet equivalence ratio of 0.8 is preferred, with an energy efficiency of 6.3%. Blending ammonia with hydrogen significantly increases NO emissions (NO emissions at 200K with a hydrogen blend ratio of 0.5 are 26% higher than with the blending ratio of 0.1) and provides limited improvement in the energy output of the MTPV system (energy output at 200K with a hydrogen blend ratio of 0.5 is 10% higher than that with a blending ratio of 0.1, and the energy output at 300K with a hydrogen blend ratio of 0.5 is 7% higher than that at a blending ratio of 0.1).

本研究对极端运行条件下以氨/氢为燃料的微型热光电（MTPV）系统的电力输出和氮氧化物排放进行了数值研究。为此，确定并研究了三个关键参数。它们包括(1) 入口速度；(2) 入口当量比；(3) 氢气摩尔混合比。提高入口速度可显著提高 MTPV 系统的电力输出。在较低的进气速度下，较高的背景温度有助于减少氮氧化物的排放（2 米/秒和 200K 时的氮氧化物排放量比 350K 时高 5.5%），而在较高的进气速度下，较低的背景温度能更有效地减少氮氧化物的排放（12 米/秒和 350K 时的氮氧化物排放量比 200K 时高 6%）。当进气等效比设定为 0.9 时，MTPV 系统的电力输出达到最大，总输出功率为 15.2 瓦。为优化能源效率，入口当量比最好为 0.8，能源效率为 6.3%。将氨气与氢气混合会大大增加氮氧化物的排放量（在 200K 温度下，氢气混合比为 0.5 的氮氧化物排放量比混合比为 0.1 的氮氧化物排放量高出 26%），并且只能有限地提高 MTPV 系统的能量输出（在 200K 温度下，氢气混合比为 0.5 的能量输出比混合比为 0.1 的能量输出高出 10%；在 300K 温度下，氢气混合比为 0.5 的能量输出比混合比为 0.1 的能量输出高出 7%）。

{"title":"Investigations of a micro-thermo-photovoltaic system fuelled with ammonia/hydrogen under extreme operational conditions","authors":"He Zhao, Dan Zhao, Yunpeng Su, Sid Becker, Yiheng Guan","doi":"10.1016/j.ijhydene.2024.10.410","DOIUrl":"10.1016/j.ijhydene.2024.10.410","url":null,"abstract":"<div><div>The present study is concerned with numerical investigations on the electrical power output, and NO emissions of an ammonia/hydrogen fuelled micro-thermo-photovoltaic (MTPV) system under extreme operational conditions. For this, three critical parameters are identified and examined. They include: (1) the inlet velocity, (2) the inlet equivalence ratio, and (3) the mole blending ratio of hydrogen. Increasing the inlet velocity markedly raises the electrical power output of the MTPV system. At lower inlet velocities, a higher background temperature helps reducing NO emissions (NO emissions at 2 m/s and 200K are 5.5% higher than at 350K), whereas at higher inlet velocities, lower background temperatures are more effective in reducing NO emissions (NO emissions at 12 m/s and 350K are 6% higher than at 200K). The electrical power output of the MTPV system is maximized, when the inlet equivalence ratio is set to 0.9, yielding a total power output of 15.2W. For optimizing energy efficiencies, an inlet equivalence ratio of 0.8 is preferred, with an energy efficiency of 6.3%. Blending ammonia with hydrogen significantly increases NO emissions (NO emissions at 200K with a hydrogen blend ratio of 0.5 are 26% higher than with the blending ratio of 0.1) and provides limited improvement in the energy output of the MTPV system (energy output at 200K with a hydrogen blend ratio of 0.5 is 10% higher than that with a blending ratio of 0.1, and the energy output at 300K with a hydrogen blend ratio of 0.5 is 7% higher than that at a blending ratio of 0.1).</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 364-375"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Improved property of block copolymer-based anion exchange membranes by attaching multi-ion flexible strings 通过连接多离子柔性串，改善嵌段共聚物阴离子交换膜的性能

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.123

Ao Nan Lai, Lin Ni, Wei Juan Wang, Qiu Xiang Wang, Peng Cheng Hu, Shu Feng Zhou

To meet high conductivity and sufficient anti-swelling of anion exchange membranes (AEMs), a collaborative strategy of combining multi-ion flexible string and block backbone is adopted to construct membrane’s architecture. Then a series of adamantane-contained poly(arylether ketone nitrile)s block copolymers has been synthesized and grafted with multi-ion flexible strings to form hydrophilic domains. In addition, the hydrophobic segments with nitrile groups are aimed to enhance the entanglement between chains and limit swelling degrees of membranes. Along the steps, clear phase separation morphologies are formed for creating efficient ionic channels. The resulted AEMs exhibit improved conductivity and dimensional stability at low hydration levels, e.g. conductivity of 91.7–119.4 mS cm⁻¹, swelling ratio (SR) of 14.4%–19.5%, water uptake (WU) of 38.3%–57.9% and λ values of 13.4–15.7 at 80 °C. Furthermore, the AEMs prepared exhibit excellent mechanical properties and good thermal stability below 180 °C. However, further optimization is required for a better alkaline stability.

为了满足阴离子交换膜（AEM）的高导电性和足够的抗膨胀性，采用了多离子柔性串与嵌段骨架相结合的合作策略来构建膜的结构。然后合成了一系列含金刚烷的聚（芳基醚酮腈）嵌段共聚物，并与多离子柔性串接枝形成亲水域。此外，带有腈基的疏水段旨在增强链之间的缠结，限制膜的膨胀度。在这些步骤中，形成了清晰的相分离形态，从而建立了有效的离子通道。所制备的 AEM 在低水合水平下具有更高的电导率和尺寸稳定性，例如，在 80 °C 时，电导率为 91.7-119.4 mS cm-1，溶胀率 (SR) 为 14.4%-19.5%，吸水率 (WU) 为 38.3%-57.9%，λ 值为 13.4-15.7。此外，制备的 AEM 还具有优异的机械性能和低于 180 °C 的良好热稳定性。不过，为了获得更好的碱性稳定性，还需要进一步优化。

{"title":"Improved property of block copolymer-based anion exchange membranes by attaching multi-ion flexible strings","authors":"Ao Nan Lai, Lin Ni, Wei Juan Wang, Qiu Xiang Wang, Peng Cheng Hu, Shu Feng Zhou","doi":"10.1016/j.ijhydene.2024.11.123","DOIUrl":"10.1016/j.ijhydene.2024.11.123","url":null,"abstract":"<div><div>To meet high conductivity and sufficient anti-swelling of anion exchange membranes (AEMs), a collaborative strategy of combining multi-ion flexible string and block backbone is adopted to construct membrane’s architecture. Then a series of adamantane-contained poly(arylether ketone nitrile)s block copolymers has been synthesized and grafted with multi-ion flexible strings to form hydrophilic domains. In addition, the hydrophobic segments with nitrile groups are aimed to enhance the entanglement between chains and limit swelling degrees of membranes. Along the steps, clear phase separation morphologies are formed for creating efficient ionic channels. The resulted AEMs exhibit improved conductivity and dimensional stability at low hydration levels, e.g. conductivity of 91.7–119.4 mS cm<sup>−1</sup>, swelling ratio (SR) of 14.4%–19.5%, water uptake (WU) of 38.3%–57.9% and λ values of 13.4–15.7 at 80 °C. Furthermore, the AEMs prepared exhibit excellent mechanical properties and good thermal stability below 180 °C. However, further optimization is required for a better alkaline stability.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 331-340"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657009","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

Probing ion substitution in NaAlO3-xHx perovskites for advanced hydrogen storage systems: A prediction through DFT 探究用于先进储氢系统的 NaAlO3-xHx 包晶中的离子置换：通过 DFT 进行预测

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.108

Sana Zafar , I. Zeba , S.S.A. Gillani

The global community is currently grappling with two significant challenges: climate change and the depletion of non-renewable power sources. To address these issues, scientists are paying increased attention to hydrogen as a potential alternative energy carrier, as it is both ecologically favorable and has the potential to replace non-renewable energy sources. However, scientists face difficulties in storing and transporting hydrogen directly. Perovskite hydrides have gained considerable interest as they exhibit excellent ion exchangeability and high gravimetric hydrogen storage capacity. This study specifically examines the hydrogen storage capabilities of NaAlO_3-xH_x perovskite using the famous DFT-based CASTEP simulation code. The research reveals that after hydrogen was inserted into the pristine material, the material's cubic structure along with lattice parameters manifests variation. The study also reveals that the hydrogen-incorporated compositions were structurally and thermodynamically stable, with Born's mechanical stability criteria being fulfilled by all compositions. The ductile or brittle nature of the compounds varied with the amount of hydrogen inserted, as shown by Cauchy's pressure and Poisson's ratio. Additionally, the continuous insertion of hydrogen into the pristine material significantly impacted the electronic states, as demonstrated by the density of states and plots of band gap. After the complete insertion of hydrogen, the band gap fell from 5.86 eV to 0 eV, making the final compound metal, it also affects the material's optoelectronic properties. This research provides detailed insights into optical parameters such as absorption, reflectivity, refractive index, extinction coefficient, complex dielectric function, and energy loss function. The gravimetric storage capacity of the material increased from 0.32 wt% to 5.4 wt% after inserting 100% hydrogen into it. NaAlH₃ is determined to be an excellent material for hydrogen storage based on our conclusions.

全球社会目前正在努力应对两大挑战：气候变化和不可再生能源的枯竭。为了解决这些问题，科学家们越来越关注氢这种潜在的替代能源载体，因为它既有利于生态环境，又有可能取代不可再生能源。然而，科学家们在直接储存和运输氢气方面遇到了困难。由于包晶体氢化物具有出色的离子交换性和高重力氢储存能力，因此受到了广泛关注。本研究利用著名的基于 DFT 的 CASTEP 仿真代码，专门研究了 NaAlO3-xHx 包晶体的储氢能力。研究发现，将氢注入原始材料后，材料的立方结构和晶格参数会发生变化。研究还发现，氢气融入的成分在结构上和热力学上都很稳定，所有成分都符合玻恩力学稳定性标准。正如考奇压力和泊松比所显示的那样，化合物的韧性或脆性随加入氢的数量而变化。此外，正如状态密度和带隙图所示，在原始材料中持续插入氢会对电子状态产生重大影响。完全插入氢后，带隙从 5.86 eV 降至 0 eV，使最终化合物成为金属，同时也影响了材料的光电特性。这项研究对吸收率、反射率、折射率、消光系数、复介电函数和能量损耗函数等光学参数进行了详细了解。在该材料中加入 100% 的氢气后，其重量存储容量从 0.32 wt% 增加到 5.4 wt%。根据我们的结论，NaAlH3 被确定为一种优良的储氢材料。

{"title":"Probing ion substitution in NaAlO3-xHx perovskites for advanced hydrogen storage systems: A prediction through DFT","authors":"Sana Zafar , I. Zeba , S.S.A. Gillani","doi":"10.1016/j.ijhydene.2024.11.108","DOIUrl":"10.1016/j.ijhydene.2024.11.108","url":null,"abstract":"<div><div>The global community is currently grappling with two significant challenges: climate change and the depletion of non-renewable power sources. To address these issues, scientists are paying increased attention to hydrogen as a potential alternative energy carrier, as it is both ecologically favorable and has the potential to replace non-renewable energy sources. However, scientists face difficulties in storing and transporting hydrogen directly. Perovskite hydrides have gained considerable interest as they exhibit excellent ion exchangeability and high gravimetric hydrogen storage capacity. This study specifically examines the hydrogen storage capabilities of NaAlO<sub>3-x</sub>H<sub>x</sub> perovskite using the famous DFT-based CASTEP simulation code. The research reveals that after hydrogen was inserted into the pristine material, the material's cubic structure along with lattice parameters manifests variation. The study also reveals that the hydrogen-incorporated compositions were structurally and thermodynamically stable, with Born's mechanical stability criteria being fulfilled by all compositions. The ductile or brittle nature of the compounds varied with the amount of hydrogen inserted, as shown by Cauchy's pressure and Poisson's ratio. Additionally, the continuous insertion of hydrogen into the pristine material significantly impacted the electronic states, as demonstrated by the density of states and plots of band gap. After the complete insertion of hydrogen, the band gap fell from 5.86 eV to 0 eV, making the final compound metal, it also affects the material's optoelectronic properties. This research provides detailed insights into optical parameters such as absorption, reflectivity, refractive index, extinction coefficient, complex dielectric function, and energy loss function. The gravimetric storage capacity of the material increased from 0.32 wt% to 5.4 wt% after inserting 100% hydrogen into it. NaAlH<sub>3</sub> is determined to be an excellent material for hydrogen storage based on our conclusions.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 285-299"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657026","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

Comparison of cost and performance between traditional and green processes for producing bimetallic carbide based oxygen reduction electrocatalysts 生产基于双金属碳化物的氧还原电催化剂的传统工艺与绿色工艺的成本和性能比较

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.101

Zaoxue Yan , Kailun Wang , Wei Wei , Xinhong Zhao , Zhifeng Jiang , Zhuofeng Hu , Guisheng Zhu

Chemical (ion exchange resin) and biomass (water hyacinth leaves) as carbon precursors are adopted to prepare two kinds of bimetallic carbide (Fe₂MoC)-based catalytic materials. It is found that, compared with the material that use ion-exchange resin as carbon precursor (N–Fe₂MoC-RG), the material that use water hyacinth as carbon precursor (N–Fe₂MoC-WHG) has more advantages in cost, environment protection, synthesis simplicity, and catalytic activity for oxygen reduction reaction (ORR). Therein, the N–Fe₂MoC-WHG as a cathode catalyst displays a half-wave potential of 0.905 V (vs. RHE) for catalyzing ORR in alkaline media, and gets a high peak power density of 1.52 W cm⁻² in alkaline electrolyte membrane fuel cell; moreover, the N–Fe₂MoC-WHG displays higher power-density retention or growth rate at lower relative humidity, higher back pressure, higher working temperature and higher catalyst loading, compared with the N–Fe₂MoC-RG. The N–Fe₂MoC-WHG is one of the most active precious metal-free catalysts reported so far, and its stability is very excellent.

采用化学（离子交换树脂）和生物质（布袋莲叶）作为碳前驱体，制备了两种基于双金属碳化物（Fe2MoC）的催化材料。研究发现，与以离子交换树脂为碳前驱体的材料（N-Fe2MoC-RG）相比，以水葫芦为碳前驱体的材料（N-Fe2MoC-WHG）在成本、环保、合成简便以及氧还原反应（ORR）催化活性等方面具有更多优势。其中，作为阴极催化剂的N-Fe2MoC-WHG在碱性介质中催化氧还原反应的半波电位为0.905 V（相对于RHE），在碱性电解质膜燃料电池中可获得1.52 W cm-2的高峰值功率密度；此外，与N-Fe2MoC-RG相比，N-Fe2MoC-WHG在较低相对湿度、较高背压、较高工作温度和较高催化剂负载条件下可获得更高的功率密度保持率或增长率。N-Fe2MoC-WHG 是迄今为止报道的最活跃的无贵金属催化剂之一，其稳定性也非常出色。

{"title":"Comparison of cost and performance between traditional and green processes for producing bimetallic carbide based oxygen reduction electrocatalysts","authors":"Zaoxue Yan , Kailun Wang , Wei Wei , Xinhong Zhao , Zhifeng Jiang , Zhuofeng Hu , Guisheng Zhu","doi":"10.1016/j.ijhydene.2024.11.101","DOIUrl":"10.1016/j.ijhydene.2024.11.101","url":null,"abstract":"<div><div>Chemical (ion exchange resin) and biomass (water hyacinth leaves) as carbon precursors are adopted to prepare two kinds of bimetallic carbide (Fe<sub>2</sub>MoC)-based catalytic materials. It is found that, compared with the material that use ion-exchange resin as carbon precursor (N–Fe<sub>2</sub>MoC-RG), the material that use water hyacinth as carbon precursor (N–Fe<sub>2</sub>MoC-WHG) has more advantages in cost, environment protection, synthesis simplicity, and catalytic activity for oxygen reduction reaction (ORR). Therein, the N–Fe<sub>2</sub>MoC-WHG as a cathode catalyst displays a half-wave potential of 0.905 V (vs. RHE) for catalyzing ORR in alkaline media, and gets a high peak power density of 1.52 W cm<sup>−2</sup> in alkaline electrolyte membrane fuel cell; moreover, the N–Fe<sub>2</sub>MoC-WHG displays higher power-density retention or growth rate at lower relative humidity, higher back pressure, higher working temperature and higher catalyst loading, compared with the N–Fe<sub>2</sub>MoC-RG. The N–Fe<sub>2</sub>MoC-WHG is one of the most active precious metal-free catalysts reported so far, and its stability is very excellent.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 385-393"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657196","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

Modeling and simulation of the structural, and optoelectronic properties of aluminum trihydride (β-AlH3) for hydrogen storage 用于储氢的三氢化铝（β-AlH3）的结构和光电特性建模与模拟

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.111

Mounaim Bencheikh, Larbi El Farh

Hydrogen is a promising clean energy source, but its storage poses challenges. In this research, we conducted an in-depth study of the structural and optoelectronic properties of the β-

{AlH}_{3}

phase as a potential material for hydrogen storage. Using the density functional theory (DFT)-based Wien2k code, we optimized the structure of β-

{AlH}_{3}

. Hydrogen storage properties show that β-

{AlH}_{3}

contains 10.1% hydrogen by weight, which is a significant amount. Electronic properties reveal that this material is a semiconductor with a wide indirect bandgap of 5.947 eV, obtained by the generalized gradient approximation with modified Becke-Johnson correction (GGA-mBJ). The optical response of β-

{AlH}_{3}

to photons with energies from 0 to 10 eV is also examined for a better understanding of this material. β-

{AlH}_{3}

exhibits a static dielectric permittivity value

ε_{1} (ω)

of 2.1, indicative of its semiconducting nature. The optical conductivity

σ_{1} (ω)

shows peaks at 7.25 eV and 8.5 eV, while the absorption coefficient α(ω) increases significantly above the band gap of 5.947 eV, with peaks at 7.2 eV and 9 eV. The refractive index n(ω) and extinction coefficient κ(ω) both display notable features at 7.2 eV and 9 eV, reflecting substantial electronic transitions and optical resonances.

This research is crucial to understanding how this material can meet the technological demands of hydrogen storage. The results provide valuable insights into the potential of β-AlH₃ within the future energy landscape, highlighting both advances and challenges in this promising field.

氢是一种前景广阔的清洁能源，但其储存却面临着挑战。在这项研究中，我们对作为潜在储氢材料的 β-AlH3 相的结构和光电特性进行了深入研究。利用基于密度泛函理论（DFT）的 Wien2k 代码，我们优化了 β-AlH3 的结构。储氢特性表明，按重量计，β-AlH3 含有 10.1% 的氢，这是一个相当大的含量。电子特性表明，这种材料是一种半导体，具有 5.947 eV 的宽间接带隙，这是通过广义梯度近似与修正贝克-约翰逊校正（GGA-mBJ）得到的。为了更好地了解这种材料，我们还研究了β-AlH3 对能量为 0 至 10 eV 的光子的光学响应。β-AlH3 的静态介电介电常数ε1(ω) 为 2.1，表明其具有半导体性质。光导率 σ1(ω) 在 7.25 eV 和 8.5 eV 处出现峰值，而吸收系数 α(ω) 在 5.947 eV 的带隙上方显著增加，在 7.2 eV 和 9 eV 处出现峰值。折射率 n(ω) 和消光系数 κ(ω) 都在 7.2 eV 和 9 eV 处显示出明显的特征，反映出实质性的电子跃迁和光学共振。研究结果为了解β-AlH₃在未来能源领域的潜力提供了宝贵的见解，突出了这一前景广阔的领域所取得的进步和面临的挑战。

{"title":"Modeling and simulation of the structural, and optoelectronic properties of aluminum trihydride (β-AlH3) for hydrogen storage","authors":"Mounaim Bencheikh, Larbi El Farh","doi":"10.1016/j.ijhydene.2024.11.111","DOIUrl":"10.1016/j.ijhydene.2024.11.111","url":null,"abstract":"<div><div>Hydrogen is a promising clean energy source, but its storage poses challenges. In this research, we conducted an in-depth study of the structural and optoelectronic properties of the β-<span><math><mrow><msub><mtext>AlH</mtext><mn>3</mn></msub></mrow></math></span> phase as a potential material for hydrogen storage. Using the density functional theory (DFT)-based Wien2k code, we optimized the structure of β-<span><math><mrow><msub><mtext>AlH</mtext><mn>3</mn></msub></mrow></math></span>. Hydrogen storage properties show that β-<span><math><mrow><msub><mtext>AlH</mtext><mn>3</mn></msub></mrow></math></span> contains 10.1% hydrogen by weight, which is a significant amount. Electronic properties reveal that this material is a semiconductor with a wide indirect bandgap of 5.947 eV, obtained by the generalized gradient approximation with modified Becke-Johnson correction (GGA-mBJ). The optical response of β-<span><math><mrow><msub><mtext>AlH</mtext><mn>3</mn></msub></mrow></math></span> to photons with energies from 0 to 10 eV is also examined for a better understanding of this material. β-<span><math><mrow><msub><mtext>AlH</mtext><mn>3</mn></msub></mrow></math></span> exhibits a static dielectric permittivity value <span><math><mrow><msub><mi>ε</mi><mn>1</mn></msub><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span> of 2.1, indicative of its semiconducting nature. The optical conductivity <span><math><mrow><msub><mi>σ</mi><mn>1</mn></msub><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span> shows peaks at 7.25 eV and 8.5 eV, while the absorption coefficient α(ω) increases significantly above the band gap of 5.947 eV, with peaks at 7.2 eV and 9 eV. The refractive index n(ω) and extinction coefficient κ(ω) both display notable features at 7.2 eV and 9 eV, reflecting substantial electronic transitions and optical resonances.</div><div>This research is crucial to understanding how this material can meet the technological demands of hydrogen storage. The results provide valuable insights into the potential of β-AlH₃ within the future energy landscape, highlighting both advances and challenges in this promising field.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 223-231"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657025","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

MOF incorporated photo-fermentation system with improved biohydrogen efficiency 含有 MOF 的光发酵系统可提高生物制氢效率

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-12 DOI: 10.1016/j.ijhydene.2024.11.132

Yinggang Jiao , Yameng Li , Yang Zhang , Muhammad Adnan Sami Khan , Fang Yin , Shengnan Zhu , Quanguo Zhang , Pedram Fatehi , Zhiping Zhang

Catalyst addition has been considered an effective pathway to enhance biohydrogen yield in biochemical reaction processes. In this study, the metal-organic framework material (MOF-808) was selected to enhance the mechanism of photo-fermentation biohydrogen production (PFHP) of corn stover. The results showed that MOF-808 coagulated with bacteria (Proteobacteria) to form an efficient proton transport interface and improved the reducibility of the fermentation solution in the PFHP system. At 0.5 g/L MOF-808 dosage, the cumulative hydrogen yield was 84.59 mL/g TS, and the hydrogen production rate was 20.1 mL/h, which were 30.5% and 39.6% higher than those of the control group, respectively. The maximum energy recovery rate and light conversion efficiency were increased by 28.9% and 39.3%, respectively. In addition, MOF-808 significantly impacted the composition of the microbial community, fostering the production of hydrogen through acid metabolism. Even during the secondary cycle, it still maintained stable catalytic activity.

催化剂添加一直被认为是生化反应过程中提高生物产氢量的有效途径。本研究选择了金属有机框架材料（MOF-808）来增强玉米秸秆光发酵生物制氢（PFHP）的机理。结果表明，MOF-808 与细菌（变形菌）凝结成一个高效的质子传输界面，提高了 PFHP 系统中发酵液的还原性。在 MOF-808 用量为 0.5 g/L 时，累积产氢量为 84.59 mL/g TS，产氢速率为 20.1 mL/h，分别比对照组高出 30.5%和 39.6%。最大能量回收率和光转换效率分别提高了 28.9% 和 39.3%。此外，MOF-808 还显著影响了微生物群落的组成，通过酸代谢促进了氢的产生。即使在二次循环期间，它仍能保持稳定的催化活性。

{"title":"MOF incorporated photo-fermentation system with improved biohydrogen efficiency","authors":"Yinggang Jiao , Yameng Li , Yang Zhang , Muhammad Adnan Sami Khan , Fang Yin , Shengnan Zhu , Quanguo Zhang , Pedram Fatehi , Zhiping Zhang","doi":"10.1016/j.ijhydene.2024.11.132","DOIUrl":"10.1016/j.ijhydene.2024.11.132","url":null,"abstract":"<div><div>Catalyst addition has been considered an effective pathway to enhance biohydrogen yield in biochemical reaction processes. In this study, the metal-organic framework material (MOF-808) was selected to enhance the mechanism of photo-fermentation biohydrogen production (PFHP) of corn stover. The results showed that MOF-808 coagulated with bacteria (Proteobacteria) to form an efficient proton transport interface and improved the reducibility of the fermentation solution in the PFHP system. At 0.5 g/L MOF-808 dosage, the cumulative hydrogen yield was 84.59 mL/g TS, and the hydrogen production rate was 20.1 mL/h, which were 30.5% and 39.6% higher than those of the control group, respectively. The maximum energy recovery rate and light conversion efficiency were increased by 28.9% and 39.3%, respectively. In addition, MOF-808 significantly impacted the composition of the microbial community, fostering the production of hydrogen through acid metabolism. Even during the secondary cycle, it still maintained stable catalytic activity.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 376-384"},"PeriodicalIF":8.1,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142657167","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

Enhanced performance and recyclability of cobalt nanoparticles mesoporous Catalyst supported on mechanochemically prepared CoFe2O4–Co3O4 for sodium borohydride hydrolysis 以机械化学制备的 CoFe2O4-Co3O4 为支撑、用于硼氢化钠水解的钴纳米颗粒介孔催化剂的性能和可回收性得到增强

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2024-11-11 DOI: 10.1016/j.ijhydene.2024.11.019

Alireza Kourang Beheshti, Mehran Rezaei, Seyed Mehdi Alavi, Ehsan Akbari, Mohammad Varbar

Sodium borohydride, recognized as a promising hydrogen carrier, has attracted significant attention for its hydrolysis process, which holds immense potential for industrialization. This process offers a viable alternative to methane steam reforming, a technology plagued by various operational challenges. This research focuses on developing Co/(CoFe₂O₄–Co₃O₄) catalysts with varying weight percentages to enhance the efficiency of this hydrogen generation process. To thoroughly characterize the synthesized catalysts, a comprehensive analysis was conducted using XRD, FT-IR, FE-SEM, TGA, and BET analytical techniques. The results revealed that the catalysts exhibited mesoporous structures across weight percentages ranging from 1 to 10, and their crystal network was determined to be face-centered cubic. XRD pattern analysis confirmed the successful synthesis of the desired catalyst with a high degree of purity. Using the Scherrer equation, the particle size of the catalyst was calculated to be between 30 and 40 nm. A cobalt loading of 7.5% on (CoFe₂O₄–Co₃O₄) resulted in optimal performance, with a hydrogen production rate of 1646.3 ml min⁻¹ g⁻¹ and an activation energy of 57.2 kJmol^-1. Reactor testing of the catalyst, employing a water displacement method, demonstrated a favorable hydrogen production rate and a high power output when compared to similar catalysts. These findings suggest practical applications for this catalyst in hydrogen generation systems.

硼氢化钠被认为是一种前景广阔的氢载体，其水解工艺吸引了大量关注，具有巨大的工业化潜力。该工艺为甲烷蒸汽重整技术提供了可行的替代方案，而甲烷蒸汽重整技术在操作上存在各种挑战。本研究的重点是开发不同重量百分比的 Co/（CoFe2O4-Co3O4）催化剂，以提高这种制氢工艺的效率。为了深入分析合成催化剂的特性，研究人员使用 XRD、FT-IR、FE-SEM、TGA 和 BET 分析技术对催化剂进行了全面分析。结果表明，催化剂在重量百分比为 1 到 10 的范围内都呈现出介孔结构，其晶体网络被确定为面心立方。XRD 图谱分析证实成功合成了所需的高纯度催化剂。利用舍勒方程，计算出催化剂的粒径在 30 至 40 纳米之间。钴在 (CoFe2O4-Co3O4) 上的负载量为 7.5%，从而获得了最佳性能，制氢率为 1646.3 ml min-1 g-1，活化能为 57.2 kJmol-1。采用水置换法对该催化剂进行的反应器测试表明，与同类催化剂相比，该催化剂具有良好的制氢率和较高的功率输出。这些研究结果表明，这种催化剂可实际应用于制氢系统。

{"title":"Enhanced performance and recyclability of cobalt nanoparticles mesoporous Catalyst supported on mechanochemically prepared CoFe2O4–Co3O4 for sodium borohydride hydrolysis","authors":"Alireza Kourang Beheshti, Mehran Rezaei, Seyed Mehdi Alavi, Ehsan Akbari, Mohammad Varbar","doi":"10.1016/j.ijhydene.2024.11.019","DOIUrl":"10.1016/j.ijhydene.2024.11.019","url":null,"abstract":"<div><div>Sodium borohydride, recognized as a promising hydrogen carrier, has attracted significant attention for its hydrolysis process, which holds immense potential for industrialization. This process offers a viable alternative to methane steam reforming, a technology plagued by various operational challenges. This research focuses on developing Co/(CoFe<sub>2</sub>O<sub>4</sub>–Co<sub>3</sub>O<sub>4</sub>) catalysts with varying weight percentages to enhance the efficiency of this hydrogen generation process. To thoroughly characterize the synthesized catalysts, a comprehensive analysis was conducted using XRD, FT-IR, FE-SEM, TGA, and BET analytical techniques. The results revealed that the catalysts exhibited mesoporous structures across weight percentages ranging from 1 to 10, and their crystal network was determined to be face-centered cubic. XRD pattern analysis confirmed the successful synthesis of the desired catalyst with a high degree of purity. Using the Scherrer equation, the particle size of the catalyst was calculated to be between 30 and 40 nm. A cobalt loading of 7.5% on (CoFe<sub>2</sub>O<sub>4</sub>–Co<sub>3</sub>O<sub>4</sub>) resulted in optimal performance, with a hydrogen production rate of 1646.3 ml min<sup>−1</sup> g<sup>−1</sup> and an activation energy of 57.2 kJmol<sup>-1</sup>. Reactor testing of the catalyst, employing a water displacement method, demonstrated a favorable hydrogen production rate and a high power output when compared to similar catalysts. These findings suggest practical applications for this catalyst in hydrogen generation systems.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"93 ","pages":"Pages 1156-1165"},"PeriodicalIF":8.1,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142650769","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