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国家自然科学基金(51271061)

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相关作者:蓝志强邓年进卢照彭雯琦郭进更多>>
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Fe部分取代Co对La_(0.7)Zr_(0.1)Mg_(0.2)Ni_(2.75)Co_(0.75-x)Fe_x(x=0,0.05,0.1,0.15,0.2)合金储氢性能的影响被引量:3
2014年
在氩气保护下,采用磁悬浮感应熔炼方法制备La0.7Zr0.1Mg0.2Ni2.75Co0.75-x Fex(x=0,0.05,0.1,0.15,0.2)合金,并研究Fe取代Co对La0.7Zr0.1Mg0.2Ni2.75Co0.75-x Fex(x=0,0.05,0.1,0.15,0.2)合金储氢性能及电化学性能的影响。结果表明:合金主要由LaNi5和La2Ni7相组成,随着Fe含量的增加,LaNi5和La2Ni7相的晶胞体积逐渐增大,且合金中依次出现ZrFe2相(x≥0.05)和La7Ni3相(x≥0.1)。适量的Fe取代Co,不仅能提高La0.7Zr0.1-Mg0.2Ni2.75Co0.75-x Fex(x=0,0.05,0.1,0.15,0.2)合金的储氢容量,降低合金的放氢平台压,改善合金氢化物的稳定性,而且能延长合金电极的循环寿命,提高合金电极的高倍率放电性能。
彭雯琦戴豪邓年进卢照蓝志强郭进
关键词:储氢性能高倍率放电性能
Nb(100)表面吸附氮气的第一性原理研究被引量:2
2013年
为研究氮气在Nb(100)表面吸附过程中的物理机制,采用密度泛函理论和第一性原理方法对Nb(100)表面吸附氮气的功函数、几何结构、吸附能、电子结构和振动频率等性质进行研究。计算结果表明:当分子覆盖度为1.0 ML时,垂直的氮气易于吸附在Nb(100)表面的顶位;当分子覆盖度为0.5 ML时,桥位是氮气吸附于表面的最稳吸附位;当分子覆盖度为0.25 ML时,氮气则基本垂直吸附在顶位。分波态密度的研究发现,Nb(100)表面和氮气之间的相互作用主要通过Nb原子的d轨道与N原子的px,py轨道间的杂化。吸附分子中两氮原子间的振动频率强烈地依赖于其吸附结构,垂直吸附分子的N—N键的振动频率强于倾斜和平行吸附分子的。垂直吸附桥位和顶位的氮分子间原子振动频率分别是1 872~2 068 cm-1和2 173~2 204 cm-1。
宁华刘松邓年进黎光旭蓝志强
关键词:氮气吸附能电子结构
Hydrogen storage properties of as-cast and annealed low-Co La1.8Ti0.2MgNi8.9Co0.1 alloys被引量:3
2016年
Low-Co Lal.8Ti0.2MgNi8.9Co0.1 alloys were prepared by magnetic levitation melting followed by annealing treatment. The effect of annealing on the hydrogen storage properties of the alloys was investigated systematically by X-ray diffraction (XRD), pressure-com- position isotherm (PCI), and electrochemical measure- ments. The results show that all samples contain LaNi5 and LaMg2Ni9 phases. LaCo5 phase appears at 1,000 ℃. The enthalpy change of all hydrides is close to -30.6 kJ.mo1-1 H2 of LaNi5 compound. Annealing not only increases hydrogen capacity and improves cycling stability but also decreases plateau pressure at 800 and 900 ℃. After annealing, the contraction of cell volume and the increase of hydride stability cause the high rate dischargeability to reduce slightly. The optimum alloy is found to be one annealed at 900 ℃, with its hydrogen capacity reaching up to 1.53 wt%, and discharge capacity remaining 225.1 mAh·g-1 after 140 charge-discharge cycles.
Wei-Qing JiangJin GuoZheng-Cheng ZhouYin-Yan Wei
Study on electrochemical property of La_(0.75)Mg_(0.25)Ni_(2.85)Co_(0.45–x)(AlSn)_x (x=0.0,0.1,0.2,0.3) alloys被引量:1
2016年
La_(0.75)Mg_(0.25)Ni_(2.85)Co_(0.45–x)(AlSn)_x(AlSn)_x(x=0.0,0.1,0.2,0.3) alloys were prepared by magnetic induction melting method, and the phase composition and electrochemical properties were investigated systematically. The alloys were mainly composed of LaNi5, La2Ni7 and LaNi3 phase, and the cell volume of LaNi5 increased with the Al and Sn contents. For the alloy corresponding to x=0.0, the Cmax and C150 were 348.9 and 185 mA h/g, respectively, then for the alloy electrode with x=0.2, even though the Cmax was only 309.0 mA h/g less than 348.9 mA h/g, the C150 of 231 mA h/g was much higher than 185 mA h/g. And the values of the limit current density, anodic peak current density and hydrogen diffusion coefficient of the La0.75Mg0.25Ni2.85Co0.35(AlS n)0.1(x=0.1) alloy were 1079.5, 1023.8 mA /g and 5.71×10–10 cm2/s, respectively. Which were the highest than that of any other electrodes. These results suggested that the kinetic property of the La_(0.75)Mg_(0.25)Ni_(2.85)Co_(0.45–x)(AlSn)_x(AlSn)_x(x=0.0, 0.1, 0.2, 0.3) electrodes could be improved effectively by adding moderate contents of Al and Sn.
蓝志强李家丞魏冰祝蓉蓉郭进
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