过渡金属Co团簇的实验与理论研究进展论文.docVIP

山西师范大学本科毕业论文 过渡金属Co团簇的实验与理论研究进展 姓 名 高娟娟 院 系 化材学院 专 业 化学与材料科学 班 级 0901 学 号 0953010145 指导教师 吕瑾 答辩日期 成 绩 过渡金属Co团簇的实验与理论研究进展 内容摘要 过渡金属团簇因为具有高磁性和高反应活性，在开发新磁性材料和新催化剂领域具有广阔的应用前景。实验上采用 Stern-Gerlach技术【1-4】对Con团簇的平均磁距进行检测，从而对团簇的磁性特征进一步展开研究，研究表明温度、团簇的尺寸大小以及磁场强度这些因素都对Con团簇的磁性有重要的影响，并且研究表明团簇的磁性与温度以及磁场强度成正相关。而磁性随着团簇的尺寸大小的增大先减小后不变，最后稳定到体材料的磁矩。理论上先预测Con团簇的基态结构，然后再对团簇的磁性进行探讨，研究表明影响Con团簇的磁性的主要因素有对称性、平均配位数、平均键长。平均键长和对称性与磁性呈正相关，而平均配位数的大小却与磁性呈负相关。实验和理论都证明在一定数目的原子范围内团簇的磁性远大于体材料的磁性，而超过一定原子数目以后，团簇的磁性逐渐向体材料靠近最后与体材料的磁性相同，这时团簇转变为体材料，发生了质的变化。 【关键词】：　 钴团簇 Stern-Gerlach技术 几何结构 电子结构 磁性 Experimental and theoretical studies of transition metal Co cluster Abstract Transition metal clusters because of the high magnetic properties and high reactivity, in the development of new magnetic material and new catalyst has wide application prospect. Prominent in recent years were introduced in this paper the experiment and theory calculation, the research progress of transition metal Co clusters, experiments on the Stern - Gerlanch deflection technology forecast Con clusters average magnetic spacing, thus further study on the magnetic characteristics of clusters, studies have shown that the temperature, the size of the clusters, and magnetic field strength of these factors to Con magnetic have important influence,And studies have shown that clusters of magnetic and temperature, and positively related to the intensity of magnetic field. And magnetic first decreases with increase the size of the clusters of unchanged, and after the last stable to the material of magnetic moment.In theory to predict the ground state of Con structure, and then discusses the magnetic of clusters, studies have shown that the main factors influencing the magnetic of Con have symmetry, the average coordination number, the average bond length. Average bond length and symmetry and magnetic were