报告人：张文清 上海大学教授
报告题目：Functional Maps for Exploring Thermoelectric Materials
报告时间：10：00 AM, Apr. 27th(Thursday)
报告地点：910-308
摘要
This talk is to discuss our effort in constructing functional maps for the discovery of novel thermoelectric(TE) materials, through a close cooperation between materials simulations and experiments. We tried to build special functional map by looking for the very special point in structure-property relationship, that is, the so-called performance descriptor, for screening novel materials while still pursuing reliable approaches in evaluating transports. The first part is to discuss the so-called pseudocubic approach to rationalize the dependence of maximal electrical power factors (PF) on structural parameters. We construct a PF ~ lattice constant and design a group of diamond-like compounds with high ZT (~1.5) in non-cubic chalcopyrites. The second part of my talk focuses on thermoelectric CoSb3 skutterudites. One of the most interesting features in CoSb3 is the existence of the intrinsic lattice voids which could be partially filled by guest elements. The filling behavior could serve as the performance descriptor. We constructed a filling map for rationalizing the filling behavior of guest fillers as well as the filler’s effect on electrical/thermal transports, leading to the discovery of a series of TE materials with figure of merits ZTs exceeding 1.5. I will also talk about the concept of chemical bond hierarchy, which relates to the discovery of the TE materials with unique part-crystalline part-amorphous state and liquid-like structure, and thus extremely low lattice thermal conductivity. Meanwhile, most of those materials also show good electrical transports due to the existence of conduction network.
简历
张文清，上海大学教授。国家杰出青年科学基金获得者，百千万人才工程国家级人选，上海市优秀学科带头人，美国物理学会会士（APS Fellow）；先后获国家自然科学二等奖，上海自然科学一等奖。1992年中科院上海光机所博士；1998年至2003年先后在德国马普协会、美国Harvard大学和Princeton大学等单位访问学者。主要从事计算材料科学研究和材料设计，在电热输运、高性能热电材料和锂电池材料的微观设计与实现、及氧化物界面等方向取得了系列具有重要影响的成果。
联系人：李有勇 教授