报告题目：Theoretical investigations on catalytic, excitonic, and magnetic properties of low-dimensional carbides and chalcogenides
报告人：邹小龙 特别研究员、博士生导师 清华-伯克利深圳学院
时间： 2018年10月23日（周二）下午15:00
地点： 卢嘉锡楼202报告厅
摘要：
In this talk, I will first present our recent work on underlying mechanisms governing HER performance on low-dimensional carbides. We have proposed a new descriptor with better performance compared to previous ones, which could help the fast screening of high-performance HER catalysts. Further analysis based on Pourbaix diagrams shows that surface chemistry during the catalytic process plays a key role in determining their performance. [1] Then, monolayer b-phase group-IV monochalcogenides (MX, M = Ge or Sn; X = S or Se) are shown to possess saddle-point excitons, which leads to a remarkable absorption peak within the fundamental gap. Importantly, the strong optical absorbance induced by saddle-point exciton absorptions and the appropriate band gap make monolayer b-GeSe and b-SnSe promising for solar cell applications with power conversion efficiencies as large as 1.11%.[2] Last, a class of CoGa2X4 (X= S, Se or Te) monolayer with triangular lattice exhibits intrinsic half-metallic ferromagnetism. The half-metal gaps are large enough (＞ 0.5 eV) to make them stable against the spin flip under weak external disturbances. We have systematically investigated the underlying origin of the ferromagnetism and predicted their high transition temperature TC. [3]
Reference:
[1] Chem. Mater. 30, 2687 (2018); Y. Luo, et al., in revision
[2] Adv. Funct. Mater., 1804581 (2018)
[3] Unpublished.
Short Bio：Xiaolong Zou received his bachelor’s degree in 2006 and Ph.D. in 2011, both in physics from Tsinghua University, and then worked as a research associate at Rice University, Houston, TX, USA from 2011 to 2016. He joined Tsinghua–Berkeley Shenzhen Institute (TBSI), Tsinghua University, as an assistant professor in 2016. Dr. Zou’s current research focuses on the theoretical description of the growth of 2D materials and their electronic, optical, and catalytic applications. He has published 51 papers in peer-refereed journals, including 1 Chemical Review, 2 Nature Materials, 3 Nature Communications, 1 Materials Today, 1 Accounts of Chemical Research, 3 Advanced Materials, 7 Nano Letters, 5 ACS Nano. These papers receive total citations over 3900 and an H-index of 24. He has been invited to write book/chapter by several prestigious publishers, including Science Press, Cambridge University Press and Pan Stanford Publishing.
邹小龙，特别研究员、博士生导师。于2006和2011年分别获得清华大学物理学学士和凝聚态物理学博士学位。2011年8月~2016年6月在美国莱斯大学材料科学及纳米工程系从事博士后研究。2016年起于清华-伯克利深圳学院工作。
研究方向集中在低维材料电子、自旋及谷耦合现象、生长机制、纳米器件输运性质及能源转换的计算模拟。迄今在Chemical Review, Nature Materials, Nature Communications, Materials Today, Advanced Materials, ACS Nano, Nano Letters, Advanced Functional Materials等材料学期刊上共发表学术论文51篇，论文被SCI引用4000余次，其中8篇论文被选为ESI高引用论文，H因子为24。受邀为科学出版社、剑桥出版社等出版学术专著2本/章。
