报告题目Title：Structural, electronic, and magnetic properties of graphene on metals: a first-principles perspective 金属上石墨烯的结构、电子和磁学第一原理计算
报 告 人Speaker：Elena Voloshina, Humboldt University of Berlin
报告时间Time：2016年6月12日(周日)9:00
报告地点Venue：校本部E106会议室，上海大学量子与分子结构国际中心SHU ICQMS
报告摘要Abstract：
Graphene grown on metal surfaces is an exciting field of solid-state chemistry and physics from different points of view. Technologically, this is the main and the most perspective way for the large-scale preparation of high-quality graphene layers of different thicknesses with controllable properties. The obtained systems might be used for many applications, like spin filters (in graphene/ferromagnet sandwiches), gas sensors, or in case of graphene/metal moiré structures as templates for the preparation of exceptionally well-ordered nanocluster lattices. Along with the practical view on these systems, investigations of graphene/metal interfaces gave rise variety of fundamental questions, e.g., regarding the nature of bonding between graphene and metal and the origin of modifications of the electronic structure of graphene in vicinity of the Fermi level. Basing on the analysis of a large amount of experimentally and computationally obtained band structures, we proposed a universal model, which allows one to describe qualitatively any graphene/metal system. All experimental observations such as doping, hybridization of the valence band states of graphene and metal, and gap formation can be understood in the framework of the approach.
Elena Voloshina received her PhD in Chemistry in 2001 (Rostov State University, Russia). She was a postdoctoral research associate at RWTH Aachen University, at the Max Planck Institute for the physics of complex systems in Dresden and at the Free University of Berlin, Germany. Since 2014 she has been leading a junior research group at the Humboldt University of Berlin (within the department "Quantum Chemistry of Solids / Catalysis", led by Prof. J. Sauer). She has a broad experience in the development and application of theoretical techniques for investigation of the electronic structure of a wide range of systems. She has co-authored more than 70 publications in peer reviewed journals.
