报告主题：团簇基材料的热导与热电特性的计算模拟研究

Computational simulation of the thermal conductivity and thermoelectric properties of cluster-based materials

主讲人：孙强教授（北京大学）

主持人：董蜀湘教授

时间：2023年5月22日周一10:00

地点：致知楼706

报告摘要：

After approximately 40 years of foundational research in cluster science, the application of clusters to functional materials has become the core content of modern cluster science. "Cluster-based" materials not only have "multi-level chemical bond characteristics" and complex spatial structures, but also the orientational order caused by the rotation of clusters at different temperatures will directly affect the lattice order, charge order, and magnetic order of the system. These factors greatly enhance the anisotropy of phonon scattering, greatly shorten the free path of phonons, and in addition to conventional phonon scattering, the contribution of four-phonon scattering and phonon anisotropy to thermal conductivity needs to be considered. The complexity of the phonon scattering mechanism and the complexity of the original material structure limit the application of traditional research methods on phonons and thermal conductivity in cluster-based materials, which makes the theoretical research on phonon scattering and heat transfer in cluster-based materials far behind the research on other properties. In this report, we will discuss the research progress we have made in this field in recent years. Our research systems include "cluster + original" hybrid two-dimensional structures and "cluster + cluster" three-dimensional structures, and the properties studied include phonon scattering, electronic transport, lattice thermal conductivity, and thermoelectric conversion

嘉宾简介：

孙强，北京大学教授，博士生导师。1984年7月年于西南大学获物理学士学位，1987年7月于四川大学获理论物理硕士学位，1996年12月于南京⼤学获凝聚态物理博士学位。运用物理学基本原理、数据库分析及机器学习技术，他长期从事新材料的计算模拟设计包括团簇及组装材料、二维材料、储氢材料、电池材料、热电材料及二氧化碳转化材料。曾获日本⾦属学会颁发的优秀研究成果奖；曾担任美国物理联合会(AmericanInstitute of Physics, AIP)主办的<Journal of Renewable and Sustainable Energy>的AssociateEditor。目前担任“能源材料与器件专家委员会副主任委员”以及“中国材料研究学会计算材料学分会副主任委员”。2020年⼊选全球前2%顶尖科学家（生涯影响力）榜单。