应002cc白菜资讯王先杰教授邀请，莫斯科国立大学Alexander Nikolaev教授将做C60富勒烯配合物结构和性质方面的报告。欢迎感兴趣的老师和员工参加。
报告题目：硼铍-C60富勒烯的外配位体和内配位体的配合物研究
报告时间：2023年10月25日（星期三），上午9:00-10:00
报告地点：理学楼202
报告摘要：Novel carbon nanomaterials such as graphene and endofullerenes continue to attract much attention of researchers from various scientific fields. I will discuss various conformations in the exohedral and endohedral molecular complexes of boron and beryllium with the C60 fullerene, studied on the basis of ab initio molecular calculations. In particular, we have studied theoretically the bound states of one and two boron atoms in the exohedral and endohedral C60 fullerene. The optimal position of one boron atom is found above the midpoint of the C60 double bond in the exohedral complex, and at the center of C60 or below a carbon atom in the endohedral complex. However, the optimal position of a boron atom is often altered when the second boron atom is added to the molecular complex. Remarkably, some of these optimal arrangements have different spin states.
报告人简介：Alexander Nikolaev现任莫斯科物理技术学院和莫斯科国立大学教授，长期从事凝聚态物理理论研究。在原子、分子、团簇和低维体系电子结构性质，磁性和超导体系的电子关联效应，以及对称性引起的相变等方面，取得了一系列突破性进展和标志性成果，在国际权威期刊发表学术论文80多篇，是国际上公认的介观物理和纳米电子学专家，其博士后导师Harold Kroto教授是1996年诺贝尔奖得主。此外，Alexander Nikolaev教授在计算程序编写方面具有丰富的经验，是俄罗斯两个广泛使用的计算软件的官方作者之一。
