报告题目：Enhancing the Thermoelectric Efficiency of Oxide-Based Semiconductors
报告人：KieranB. Spooner
主持人（邀请人）：贺欣、张立军
报告时间：2024年5月27日14:30-16:00
报告地点：唐敖庆D区429
主办单位：汽车材料教育部重点实验室，9001cc.s金沙登录，集成光电子学国家重点实验室
摘要：Thermoelectrics are materials which convert heat into electricity or vice versa, which could be ideal candidates for harvesting or recycling energy in a renewable, carbon-free manner. Currently, however, they are typically made from rare and toxic elements, and n-type efficiencies (measured as the dimensionless figure of merit, ZT) have not kept up with p-type efficiencies, when both are needed in actual devices.
To design high-performance TE materials and unravel the physical understanding of novel thermoelectrics, Kieran Spooner has self-developed a software called ThermoParser, which streamlines the analysis of thermoelectric materials by unifying the datasets from different codes, calculating useful quantities and providing a versatile plotting interface. With the help of ThermoParser, he and his colleagues have used hybrid functional theory and (mostly) explicit scattering methods such as Phono3py and AMSET to study the thermoelectric properties of a range of oxide and oxide-based semiconductors. Starting from some well-studied and earth-abundant transparent conducting oxides (TCOs), which would make ideal commercialisable materials if they were efficient, he and his colleagues have examined via several more complex materials how they might be improved. His most recent work concerns the anion mutation of one of the most prolifically studied materials, ZnO, to produce Zn2NX (X = Cl, Br, I). He shows this strategy has a synergistic effect, improving both the electronic and thermal properties of the materials, providing a dramatic enhancement in ZT.
报告人简介：
Dr Kieran B. Spooner has obtained his PhD degree from the University College London in 2023. During his PhD study, he self-developed a software named Thermoparser which has been used by researchers from University of Oxford, University of Munich, Fudan University, Beihang University and so on. Now he is a research fellow in the School of Chemistry, University of Birmingham. He is currently working on thermoelectrics, including mixed anion compounds and 2D metal organic frameworks (MOFs).
