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Catalytic mechanism of in-situ Ni/C co-incorporation for hydrogen absorption of Mg

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Journal of Magnesium and Alloys 2023年第5期11卷 1815-1824页

作者： bogu liu Bao Zhang Haixiang Huang Xiaohong Chen Yujie Lv Zhongyu Li Jianguang Yuan Ying Wu Central Iron&Steel Research Institute Advanced Technology&Materials Co.LtdNo.76 XueyuannanluHaidian DistrictBeijing 100081China Advanced Materials Research Institute North China Electric Power UniversityNo.2 Beinonglu Changping DistrictBeijing 102206China

Ni and carbon materials exhibit remarkable catalysis for the hydriding reaction of *** the underlying mechanism of Ni/C hybrid catalysis is still *** this work,density functional theory(DFT)calculation is applied to investigate the effect of Ni/C co-incorporation on the hydriding reaction of Mg *** morphology and crystal structure of the Ni/C co-incorporated Mg sample show that the coincorporated structure is *** transition state searching calculation suggests that both the incorporations of Ni and C are beneficial for the H_(2) *** Ni atom has a dramatic improvement for H_(2) dissociation and makes the H diffusion become limiting step of the hyriding *** Ni dz_(2)orbit and H s orbit accept the electrons and combine together compactly,while the Ni d_(xy) orbit is *** catalytic effect of Ni on H_(2) dissociation can be ascribed to the bridging effect of Ni d_(xy) *** incorporation of C can weaken the over-strong interaction between Ni and H which hindered the H diffusion on Mg(0001).The Ni/C co-incorporated Mg(0001)shows the best performance during hyriding reaction compared with the clean and single incorporated Mg(0001).

关键词： Magnesium Ni/C co-incorporation Density functional theory Catalytic effect Hydriding reaction

A highly efficient hydrolysis of MgH_(2)catalyzed by NiCo@C bimetallic synergistic effect

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Journal of Materials Science & Technology 2023年第6期137卷 176-183页

作者： Yang Zhao Tong Li Haixiang Huang Tingting Xu bogu liu Bao Zhang Jianguang Yuan Ying Wu School of Energy Power and Mechanical Engineering North China Electric Power University.No.2 Beinonglu Changping DistrictBeijing 102206China Institute of Energy Power Innovation North China Electric Power UniversityNo.2 Beinonglu Changping DistrictBeijing 102206China

MgH_(2)has a high theoretical hydrogen production capacity and mild conditions for hydrogen production by hydrolysis,so it is suitable as an ideal hydrogen source for fuel ***,with the progress of the hydrolysis reaction,MgH_(2)is impeded from reacting further by the continuous deposition of magnesium hydroxide on its surface,resulting in low hydrogen yield and slow reaction *** the present work,a highly efficient NiCo bimetallic synergistic catalysis is developed to improve the hydrolysis performance of MgH_(2).The MgH_(2)-8 wt%NiCo@C composite ball-milled for 5 h achieves nearly 100%hydrogen desorp-tion efficiency within 15 min in 0.05 mol L^(-1)MgCl_(2)*** the interaction between Ni and Co on the surface of MgH_(2)can form a channel for rapid hydrogen evolution,which hinders the continuous formation of the Mg(OH)_(2)passivation layer and promotes the hydrolysis reaction of MgH_(2).This is very important for the implementation of MgH_(2)hydrolysis to produce hydrogen in the future.

关键词： MgH_(2) Hydrogen generation Hydrolysis NiCo bimetallic catalysts Reaction kinetics

Influence of heat exchanger structure on hydrogen absorption-desorption performance of hydrogen storage vessel

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Progress in Natural Science:Materials International 2022年第5期32卷 617-624页

作者： Jianguang Yuan Ming Yao Baozhou Zhao Yujie Lv Haixiang Huang Jinting Chen bogu liu Bao Zhang Ying Wu Institute of Energy Power Innovation North China Electric Power University Jiangsu JITRI Advanced Energy & Materials Research Institute Co. Ltd. School of Energy Power and Machinery Engineering North China Electric Power University Institute of Biomedical Engineering and Health Sciences School of Pharmacy & School of Medicine Changzhou University

The influence of heat exchanger structure on hydrogen absorption-desorption performance of hydrogen storage vessel was studied, in which the AB5(La0.25Ce0.75Ni4.4Al0.1Mn0.1Co0.4) hydrogen storage alloy was used as a typical representative. In order to obtain the data on reaction enthalpy, the PCT curve of the alloy was measured with three different temperatures, and the linear fitting was carried out according to the Van’t Hoff relation *** SMCR(Spiral-mini-channel Reactor) reactor structure was adopted. The heat transfer method and its simplified model were studied by finite element method to explore the effect of size of heat transfer structure,particularly for heat pipe diameter, on the hydrogen absorption-desorption performance of hydrogen storage alloy in the vessel.

关键词： Hydrogen storage materials AB5 alloy Heat exchanger Hydrogen absorption-desorption performance Hydrogen storage vessel

Niobium fluoride-modified hydrogen evolution reaction of magnesium borohydride diammoniate

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Journal of Materials Science & Technology 2023年第25期156卷 197-205页

作者： Yujie Lv Bao Zhang Haixiang Huang bogu liu Wei Lv Jianguang Yuan Guanglin Xia Xuebin Yu Dalin Sun Ying Wu School of Energy Power and Mechanical Engineering North China Electric Power UniversityBeijing102206China Institute of Energy Power Innovation North China Electric Power UniversityBeijing102206China Jiangsu JITRI Advanced Energy & Materials Research Institute Co. Ltd.Changzhou213000China Department of Materials Science Fudan UniversityShanghai200433China

Metal borohydride ammoniates have become one of the most promising hydrogen storage materials due to their ultrahigh ***,their application is still restricted by the high temperature of hydrogen desorption and the release of ***,to promote the dehydrogenation evolution and suppress the ammonia release,different amounts of NbF 5 were introduced into Mg(BH4)2·*** to the pure Mg(BH_(4))_(2)·2NH_(3),the Mg(BH_(4))_(2)·2NH_(3)-NbF_(5) composites exhibit lower onset dehydriding temperatures(53–57℃)and higher dehydriding capacities(5.6 wt.%–8.2 wt.%)at below 200℃,with the complete suppression of *** addition,7.4 wt.%H_(2) could be released from Mg(BH_(4))_(2)·2NH_(3)–5 mol%NbF5 composite at 200℃ within 20 min and the apparent activation energy is calculated to be 60.28 kJ mol^(-1),which is much lower than that of pure Mg(BH_(4))_(2)·2NH_(3)(92.04 kJ mol^(-1)).Mg(BH_(4))_(2)·2NH_(3) should mechanochemically react with NbF5,forming dual-metal(Mg,Nb)borohydride ammoniate and spherical *** introduction of electronegative Nb cation results in-situ formation of(Mg,Nb)borohydride ammoniate towards a lower dehydrogenation temperature and a higher hydrogen release *** increased phase boundaries among the Mg(BH_(4))_(2)·2NH_(3),dual-metal(Mg,Nb)borohydride ammoniate,and MgF2 phases further facilitate the hydrogen diffusion during the dehydrogenation of the composites.

关键词： Hydrogen storage Magnesium borohydride Ammoniates NbF5 Catalysis

Graphene-Supported Sc_(2)O_(3)/TiO_(2) for Superior Catalysis on Hydrogen Sorption Kinetics of MgH_(2)

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Energy Material Advances 2023年第1期4卷 456-466页

作者： Haixiang Huang Jinting Chen Tingting Xu Yujie Lv bogu liu Bao Zhang Jianguang Yuan Ying Wu School of Energy Power and Mechanical EngineeringNorth China Electric Power UniversityBeijing 102206China Institute of Energy Power Innovation North China Electric Power UniversityBeijing 102206China

Complex metal oxide catalysts greatly accelerate the hydrogen sorption rates in the magnesium hydride *** this study,the graphene-supported Sc_(2)O_(3)/TiO_(2) catalyst is synthesized by means of a simple method,and a surprisingly synergetic effect of the Sc_(2)O_(3)-TiO_(2) cocatalyst on the hydrogen storage performance of MgH_(2) is *** MgH_(2)-Sc_(2)O_(3)/TiO_(2)@Gn composite starts to release hydrogen at 140°C and reaches the peak dehydrogenation temperature at 239.9°*** absorbs 6.55 wt%of H_(2) in 1 min and desorbs 5.71 wt%of H_(2) in 10 min at 300°C,showing excellent hydrogen absorption and desorption ***,with the decrease of the grain size and changes in the structure,the activity of the catalyst is greatly *** low-valent titanium and scandium and oxygen vacancies formed in the process of dehydrogenation facilitate hydrogen diffusion and electron transfer,and further improve the kinetic performance of the Mg/MgH_(2)-Sc_(2)O_(3)/TiO_(2)@Gn *** study aims to provide insights into studying complex metal oxides as catalysts to improve hydrogen storage performance,and shed light on other catalysis-related research.

关键词： catalyst Kinetics magnesium

Enhanced hydrogen storage properties of NaBH4–Mg(BH4)2 composites by NdF3 addition

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Progress in Natural Science:Materials International 2021年第4期31卷 521-526页

作者： Jianguang Yuan Jinting Chen Haixiang Huang Yujie Lv bogu liu Zhongyu Li Bao Zhang Wei Lv Ying Wu Central Iron & Steel Research Institute Advanced Technology & Materials Co. Ltd Jiangsu JITRI Advanced Energy & Materials Research Institute Co. Ltd Advanced Materials Research Institute North China Electric Power University Jiangsu Provincial Key Laboratory of Special Robot Technology Hohai University

As two important members of complex hydrides,Mg(BH4)2and Na BH4have a high gravimetric capacity (14.9 and10.8 wt%,respectively).In this study,the Mg(BH4)2was synthesized by the ion exchange ***,the Mg(BH4)2and Na BH4composites with different amounts (30,40 and 50 wt%) of NdF3were prepared by mechanical *** of the Nd F3on the microstructural evolution and hydrogen storage properties were *** results show that Nd F3catalyst can significantly improve the dehydrogenation kinetics of the eutectic composites of Na BH4–Mg(BH4)*** onset hydrogen desorption temperature of the composites is about88.6C,which is about 110C lower than that of Mg(BH4)2and Na ***(BH4)2–Na BH4-0.5NdF3composites can released 5.2 wt%H2at 250C within 30 min,and the dehydrogenation capacity is significantly higher than that of Mg(BH4)2–Na *** analysis of the dehydrogenation mechanism reveals that NdF3takes participate in the reaction to generate Na MgF3to promote the dehydrogenation reaction process of the composites.

关键词： Hydrogen storage materials Mg(BH4)2 NaBH4 NdF3 Ball-milling Hydrogen desorption performance

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机械球磨法在纳米储氢材料制备中的应用

化工新型材料 2019年第3期47卷 15-19页

作者：刘培刘博古张倩倩陈海鹏周仕学山东科技大学化学与环境工程学院青岛266590

机械球磨法是纳米储氢材料制备和加工的重要方法之一。通过机械球磨法制备的材料具有纳米化、合金化和非晶化等优良特性,储氢材料的动力学和热力学性能得到改善。机械球磨法操作工艺简单、成本低、效率高,使其成为制备纳米储氢材料的理... 详细信息

机械球磨法是纳米储氢材料制备和加工的重要方法之一。通过机械球磨法制备的材料具有纳米化、合金化和非晶化等优良特性,储氢材料的动力学和热力学性能得到改善。机械球磨法操作工艺简单、成本低、效率高,使其成为制备纳米储氢材料的理想方法之一。简要介绍了机械球磨法的基本原理,重点阐述了机械球磨法在制备纳米储氢材料方面的应用,并对影响机械球磨效果的主要因素进行了分析。对于机械球磨法在制备纳米储氢材料领域的实际应用具有一定的指导意义。

关键词：机械球磨法储氢材料纳米材料助磨剂

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不同温度下噻吩与氢化镁反应路径分析

化工新型材料 2017年第5期45卷 124-126页

作者：刘博古张莉华李淑芳蒋瑞乾刘晓静李辛元周仕学山东科技大学化学与环境工程学院青岛266590

以球磨法制备镁基储氢材料,并作为供氢体对噻吩进行加氢脱硫研究。程序升温脱附(TPD)和差示扫描量热(DSC)测试表明,材料放氢峰温为320℃,可与噻吩加氢温度匹配。噻吩加氢脱硫实验表明,当反应温度为350℃时,噻吩加氢反应转化率最高;反应... 详细信息

以球磨法制备镁基储氢材料,并作为供氢体对噻吩进行加氢脱硫研究。程序升温脱附(TPD)和差示扫描量热(DSC)测试表明,材料放氢峰温为320℃,可与噻吩加氢温度匹配。噻吩加氢脱硫实验表明,当反应温度为350℃时,噻吩加氢反应转化率最高;反应温度继续升高,转化率则随之下降。加氢脱硫反应产物分析表明,由于温度升高,储氢材料中的活性氢将直接结合生成氢气分子,从而使加氢反应较难进行,噻吩转化率下降。第一性原理计算结果表明,MgH_2直接对噻吩加氢的能量位垒为62.65kJ/mol,而由MgH_2所放出的氢气对噻吩加氢的2个位垒为275.36kJ/mol和365.36kJ/mol。MgH_2与噻吩直接反应更有利于加氢脱硫反应的进行。

关键词：噻吩加氢脱硫氢化镁第一性原理

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虚拟水研究综述

山东化工 2016年第22期45卷 54-56,59页

作者：苏进举田爱民刘博古田爱杰山东科技大学化学与环境工程学院山东青岛266590 济南市技师学院山东济南250000

虚拟水概念的提出为解决水资源问题提供了新的理论基础。对保障水资源安全和粮食安全有着重要意义。在虚拟水及其相关概念简析的基础上,从虚拟水的核算、虚拟水战略、虚拟水贸易等主要方面进行综述,探讨了虚拟水研究与水资源安全和粮食... 详细信息

虚拟水概念的提出为解决水资源问题提供了新的理论基础。对保障水资源安全和粮食安全有着重要意义。在虚拟水及其相关概念简析的基础上,从虚拟水的核算、虚拟水战略、虚拟水贸易等主要方面进行综述,探讨了虚拟水研究与水资源安全和粮食安全的相关性。最后对未来虚拟水的研究方向作出展望。

关键词：虚拟水虚拟水战略虚拟水贸易水资源安全粮食安全