报告题目：Engineering electronic properties of new 2D materials
报 告 人：Beate Paulus
报告时间：2019年11月18日16:30-18:30
报告地点：材料科学与技术学院301会议室
主办单位：材料科学与技术学院
报告人简介：
Beate Paulus，德国柏林自由大学W3教授，国际知名的理论化学家。1995年于马克斯-普朗克复杂系统物理研究所获得博士学位（导师：Peter Fulde教授）。2007年成为柏林自由大学理论化学W2教授。2011年晋升为W3正教授。曾任柏林自由大学化学生物研究所所长。研究兴趣包括材料科学、表面吸附过程及二维材料的电子结构、主客体化学、氟化学。担任DFG, ERC grants、洪堡基金等函评专家。迄今已发表学术论文155篇，H-index 27。
报告摘要：
Research on two-dimensional (2D) materials is rising to an unprecedented height and will continue to remain a very important topic in materials science. In parallel with the discovery of new candidate materials and exploration of their unique characteristics, there are intensive interests to rationally control and tune the properties of 2D materials in a predictable manner. Considerable attention is focused on modifying these materials structurally or engineering them into designed architectures to meet requirements for specific applications. In this regard, density-functional theory (DFT) methods can provide the predictive capability to enable the computational discovery, characterization, and design of novel materials and provide valuable guidance for experimental study. This project is devoted to the theoretical study of electronic and magnetic properties of new 2D materials and their heterostructures with the perspectives to use them in the modern micro/nano-electronics and spintronics.
