报告题目：Extending Professor Schleyer's Legacy to Nanomaterials Science

报 告 人：Prof. Zhongfang Chen

Department of Chemistry, University of Puerto Rico, San Juan, PR 00931, USA

Abstract: Rule-breaking molecules not only enrich chemical bonding theory, gain us deeper chemical insights, but also often lead to discoveries of exceptional materials with novel properties. Molecules with planar hypercoordinate carbon, a favorite topic of Professor Schleyer, are seminal examples. Paul's legacy is far from physical organic chemistry and computational chemistry, it is also in nanomaterials science. Here by means of density functional theory (DFT) computations, we extend the planar hypercoodinate carbon from molecules to nanomaterials. Our predicted SiC2, Al2C and Be2C monolayers have rather unusual chemical bonding: the Si/C atoms in SiC2/Al2C adopt planar tetracoordinate configuration, while Be2C contains planar hexacoordinate carbon moieties. Besides the unique bonding character, these rule-breaking systems also hold great promise for applications in nanoelectronics and optoelectronics. The high stabilities of these systems strongly suggest the feasibility for their experimental realizations. We are calling for more efforts on nanomaterials with novel chemical bonding, especially on the rule-breaking systems.

地 点：前卫南区唐敖庆楼C区603报告厅

时 间：2016年3月10日（周四）上午10:00

举办单位：超硬材料国家重点实验室

物理学院

原子与分子物理研究所

吉林省物理学会

中国物理学会高压物理专业委员会