报告题目：First-principles Studies on Low-dimensional Nanosystems: Exploring Novel Properties and Potential Applications

报 告 人：Menghao Wu （Virginia Commonwealth University）

报告时间：2013年7月1日上午9:30

报告地点：嘉定园区学术活动中心307室

报告简介：

My research on first-principles calculations involves various low-dimensional nanosystems, which can be classified as: (1) graphene systems, (2) carbon nitride, boron nitride and some other single-layer hexagonal systems, (3) carbon/BN nanofoams, (4) transition-metal-molecular sandwich nanowires, (5) magnetic nanoclusters. My main focus has been on their electronic and magnetic properties, applications in energy storage, and formations of some novel structures. In this presentation I will show some of my studies: a. half-metallcity in decorated graphene systems; b. magnetism and half-metallicity induced by charge-injection; c. ferroelectricity /multiferroelectricity induced by functionalizations; d. hydrogen storage and ion battery; e. novel carbon structures. One of the key points is to functionalize nanomaterials that have been synthesized for various applications with high performance, like high polarization in ferroelectrics, high capacity in energy storage materials. Finally I will present my research plan, which will be focused on metal-graphene, metal-graphitic carbon nitride systems and so on.