利用第一原理赝势平面波方法计算了C aM g2N i9,L aM g2N i9贮氢合金的电子结构,分析了合金中原子间的相互作用以及对合金稳定性的影响.结果表明:L aM g2N i9中N i-N i间的作用比C aM g2N i9中相应的原子间的作用强,使得C aM g2N i9比L ...利用第一原理赝势平面波方法计算了C aM g2N i9,L aM g2N i9贮氢合金的电子结构,分析了合金中原子间的相互作用以及对合金稳定性的影响.结果表明:L aM g2N i9中N i-N i间的作用比C aM g2N i9中相应的原子间的作用强,使得C aM g2N i9比L aM g2N i9易于完成由N i-N i键到N i-H的转移,是导致L aM g2N i9合金吸氢量比C aM g2N i9合金吸氢量少的原因之一.展开更多
The present study dealt with investigations on the effects of annealing on the hydrogen storage properties of La 1.6 Ti 0.4 MgNi 9 alloys.The experimental alloys were prepared by magnetic levitation melting followed b...The present study dealt with investigations on the effects of annealing on the hydrogen storage properties of La 1.6 Ti 0.4 MgNi 9 alloys.The experimental alloys were prepared by magnetic levitation melting followed by annealing treatment.For La 1.6 Ti 0.4 MgNi 9 alloys,LaNi 5,LaNi 3 and LaMg 2 Ni 9 were the main phases,Ti 2 Ni phase appeared at 900℃.Annealing not only enhanced the maximum and effective hydrogen storage capacity,improved the hydrogen absorption/desorption kinetics,but also increased the discharge capacity.The cyclic stability had been improved markedly by annealing,e.g.,when the discharge capacity reduced to 60% of maximum discharge capacity,the charge/discharge cycles increased from 66（as-cast） to 89（annealed at 800℃） and 127 times（annealed at 900℃）.La 1.6 Ti 0.4 MgNi 9 alloy annealed at 900℃ exhibited better electrochemical properties compared to the other two alloy electrodes.展开更多
TheLa0.5Pr0.2Zr0.1Mg0.2Ni2.75Co0.45Fe0.1Al0.2（M0 and Zr0.65Ti0.35（Mn0.2V0.2Cr0.15Ni0.45）l.76 （M2） hydrogen storage alloys were prepared by inductive melting. In addition, the M1＋30 wt.%M2 composites were success...TheLa0.5Pr0.2Zr0.1Mg0.2Ni2.75Co0.45Fe0.1Al0.2（M0 and Zr0.65Ti0.35（Mn0.2V0.2Cr0.15Ni0.45）l.76 （M2） hydrogen storage alloys were prepared by inductive melting. In addition, the M1＋30 wt.%M2 composites were successively prepared by using high-energy ball milling technology. From the X-ray diffraction （XRD） analysis, it was found that M1 and M2 alloys still retained their respective main phases in the MI＋30 wt.%M2 composites. The scanning electron microscopy （SEM） and energy dispersive spectroscopy （EDS） indicated that the decrease in discharge capacity of MI and M2 alloy electrodes was ascribed to the oxidation-dissolution of La, Pr, Mg and Ti, Mn, V, Cr active elements, respectively. The electrochemical studies showed that the M1＋30 wt.%M2 composite electrode ball milling for 5 rain exhibited excellence cyclic stability （92.3%） after 80 charge/discharge cycles, which was higher than 77.7 % and 85.6% of MI and M2 alloy electrodes, respectively. Moreover, at the discharge current density of 1200 mA/g, the high rate dis- charge ability （HRD） of the M1＋30 wt.%M2 composite electrode increased from 61.5% （5 rain） to 70.3% （10 rain）. According to the linear polarization, Tafel polarization and cyclic voltammograms （CV）, the electrochemical kinetics of hydrogen reaction on the sur- face of the electrode and hydrogen diffusion rate in the bulk of alloy were also improved in the ML＋30 wt.%M2composite with in- creasing ball milling time.展开更多
文摘利用第一原理赝势平面波方法计算了C aM g2N i9,L aM g2N i9贮氢合金的电子结构,分析了合金中原子间的相互作用以及对合金稳定性的影响.结果表明:L aM g2N i9中N i-N i间的作用比C aM g2N i9中相应的原子间的作用强,使得C aM g2N i9比L aM g2N i9易于完成由N i-N i键到N i-H的转移,是导致L aM g2N i9合金吸氢量比C aM g2N i9合金吸氢量少的原因之一.
基金the National Natural Science Foundation of China (50861003)the Natural Science Foundation of Guangxi (2010GXNSFD013004)+2 种基金the Foundation of Key Laboratory of National Education Ministry for Nonferrous Metals and Materials Processing Technology (GXKFJ09-15)the Foundation of Guangxi Department of Education (200911MS07)the Foundation of Guangxi University (X081056)
基金the National Natural Science Foundation of China(51071054,50861003)the Natural Science Foundation of Guangxi(2010GXNSFD013004)+2 种基金the Foundation of Key Laboratory of National Education Ministry for Nonferrous Metals and Materials Processing Technology(GXKFJ09-15)the Guangxi University Program for Science and Technology Research(XBZ110379)the Innovation Team Project of Guangxi University
基金supported by National Natural Science Foundation of China (50861003,51071054)Natural Science Foundation of Guangxi(2010GXNSFD013004,2012GXNSFBA053149)+1 种基金the Foundation of Key Laboratory of National Education Ministry for Nonferrous Metals and Materials Processing Technology (GXKFJ09-15)the Guangxi University Program for Science and Technology Research (XBZ110379)
文摘The present study dealt with investigations on the effects of annealing on the hydrogen storage properties of La 1.6 Ti 0.4 MgNi 9 alloys.The experimental alloys were prepared by magnetic levitation melting followed by annealing treatment.For La 1.6 Ti 0.4 MgNi 9 alloys,LaNi 5,LaNi 3 and LaMg 2 Ni 9 were the main phases,Ti 2 Ni phase appeared at 900℃.Annealing not only enhanced the maximum and effective hydrogen storage capacity,improved the hydrogen absorption/desorption kinetics,but also increased the discharge capacity.The cyclic stability had been improved markedly by annealing,e.g.,when the discharge capacity reduced to 60% of maximum discharge capacity,the charge/discharge cycles increased from 66（as-cast） to 89（annealed at 800℃） and 127 times（annealed at 900℃）.La 1.6 Ti 0.4 MgNi 9 alloy annealed at 900℃ exhibited better electrochemical properties compared to the other two alloy electrodes.
基金supported by the Natural Science Foundation of Guangxi (2011GXNSFA018034)the Program for Characteristic Professionalism and Integrated Curriculum Construction in Colleges of Guangxi (GXTSZY024)
文摘TheLa0.5Pr0.2Zr0.1Mg0.2Ni2.75Co0.45Fe0.1Al0.2（M0 and Zr0.65Ti0.35（Mn0.2V0.2Cr0.15Ni0.45）l.76 （M2） hydrogen storage alloys were prepared by inductive melting. In addition, the M1＋30 wt.%M2 composites were successively prepared by using high-energy ball milling technology. From the X-ray diffraction （XRD） analysis, it was found that M1 and M2 alloys still retained their respective main phases in the MI＋30 wt.%M2 composites. The scanning electron microscopy （SEM） and energy dispersive spectroscopy （EDS） indicated that the decrease in discharge capacity of MI and M2 alloy electrodes was ascribed to the oxidation-dissolution of La, Pr, Mg and Ti, Mn, V, Cr active elements, respectively. The electrochemical studies showed that the M1＋30 wt.%M2 composite electrode ball milling for 5 rain exhibited excellence cyclic stability （92.3%） after 80 charge/discharge cycles, which was higher than 77.7 % and 85.6% of MI and M2 alloy electrodes, respectively. Moreover, at the discharge current density of 1200 mA/g, the high rate dis- charge ability （HRD） of the M1＋30 wt.%M2 composite electrode increased from 61.5% （5 rain） to 70.3% （10 rain）. According to the linear polarization, Tafel polarization and cyclic voltammograms （CV）, the electrochemical kinetics of hydrogen reaction on the sur- face of the electrode and hydrogen diffusion rate in the bulk of alloy were also improved in the ML＋30 wt.%M2composite with in- creasing ball milling time.
