简介:通过第一性原理的密度泛函理论,研究Cl^-离子在Al(100)表面的吸附行为,获得了不同覆盖度下Cl^-离子在Al(100)表面吸附后的能量、结构参数和电子特性。计算结果表明,Cl^-离子在Al(100)表面的顶位(T)和桥位(B)的吸附较稳定,而洞位(H)是能量上最不稳定的吸附位,吸附能随着覆盖度的增大而减小。同时,表面吸附Cl^-离子,还引起靠近表面的多层Al原子发生不同程度的收缩;随着覆盖度的增加,被吸附的Cl^-离子之间的距离变短,使得它们之间的静电排斥和静电能增大,并导致表面吸附能和吸附的Cl^-离子与最外层Al原子间的垂直距离逐渐减小。通过对清洁的Al(100)表面及Cl^-离子在不同位置的吸附表面的态密度分析,得到如下结论:Cl^-离子在Al(100)表面的吸附主要是由于Cl^-的2s和2p轨道与基底金属的3p轨道相互作用的结果。
简介:湖南华菱涟源钢铁有限公司承担的湖南省100个重大产品创新项目'1100MPa(兆帕)级起重泵送用超高强度钢的关键技术开发及应用'取得阶段性成果。项目成功开发960~1300MPa超高强度调质钢板,并在国内前三大工程机械企业批量使用,涟钢在国内薄规格超高强工程机械钢市场份额达到40%以上,省内市场独家垄断.
简介:MeltspinningtechnologywasusedtopreparetheMg2Ni-type(Mg24Ni10Cu2)100–xNdx(x=0,5,10,15,20)alloysinordertoobtainananocrystallineandamorphousstructure.TheeffectsofNdcontentandspinningrateonthestructuresandelectrochemicalhydrogenstorageperformancesofthealloyswereinvestigated.ThestructurecharacterizationsofX-raydiffraction(XRD),transmissionelectronmicroscopy(TEM)andscanningelectronmicroscopy(SEM)linkedwithenergydispersivespectroscopy(EDS)revealedthattheas-spunNd-freealloydisplayedanentirenanocrystallinestructure,whereastheas-spunNd-addedalloysheldananocrystallineandamorphousstructureandthedegreeofamorphizationvisiblyincreasedwiththerisingofNdcontentandspinningrate,suggestingthattheadditionofNdfacilitatedtheglassformingoftheMg2Ni-typealloy.TheelectrochemicalmeasurementsindicatedthattheadditionofNdandmeltspinningimprovedtheelectrochemicalhydrogenstorageperformancesofthealloyssignificantly.Thedischargecapacitiesoftheas-castandspunalloysexhibitedmaximumvalueswhenNdcontentwasx=10,whichwere86.4,200.5,266.3,402.5and452.8mAh/gcorrespondingtothespinningrateof0(As-castwasdefinedasthespinningrateof0m/s),10,20,30and40m/s,respectively.Thecyclestability(S20,thecapacitymaintainrateat20thcycle)oftheas-castalloyalwaysrosewiththeincreasingofNdcontent,andthoseoftheas-spunalloysexhibitedthemaximumvaluesforNdcontentx=10,whichwere77.9%,83.4%89.2%and89.7%,correspondingtothespinningrateof10,20,30and40m/s,respectively.