Speaker: 陶书霞 (Eindhoven University of Technology)

Time: April 23, 2025 10:30

Place: 物理楼W105

报告摘要：Halide perovskites are a highly tunable class of materials with rich photonic, electronic, and spin-coupled behavior, making them attractive for applications ranging from solar cells to quantum devices. Their soft lattice, ionic conductivity, and chemical versatility allow for engineered functionality and device integration.

Our group uses first-principles and machine learning–accelerated methods, combining DFT, tight-binding models, and molecular dynamics, to study the structure–property relationships that govern perovskite performance and stability. A major focus is on understanding and controlling defect chemistry, a central factor in long-term device degradation. Through predictive modeling and electronic structure analysis, we identify defect pathways and propose mitigation strategies such as compositional tuning and surface passivation.

We are also exploring the role of chirality in hybrid perovskites, focusing on how chiral organic ligands induce spin-dependent effects like chiral-induced spin selectivity (CISS) and enhance chiroptical responses. These insights open new possibilities for spin-polarized light-emitting diodes and chiral photodetectors.

报告人简介：Shuxia Tao is Associate Professor of Computational Materials Physics at Eindhoven University of Technology (TU/e), The Netherlands. Her research explores the fundamental interactions between electrons, spins, and ions in emerging semiconductors and functional nanomaterials, with a focus on defect physics, light–matter interaction, and degradation mechanisms. She develops multiscale modeling frameworks that combine density functional theory (DFT), molecular dynamics, and machine learning.

Shuxia earned her MSc in Physical Chemistry from Nankai University and her PhD from TU/e in 2011, where she focused on computational materials design for energy devices. After a short family leave, she worked at NIKHEF (Amsterdam) from 2013 to 2016 on computational photodetector design. She joined TU/e's Department of Applied Physics in 2016, was appointed Assistant Professor in 2018, and promoted to Associate Professor in 2023.

Her work is supported by multiple prestigious national and EU grants, including NWO VIDI, and the ERC Consolidator Grant. She serves as Associate Editor for AI for Science (IOP Publishing) and Editorial Board Member of Applied Physics Letters. Nationally, she contributes to Dutch research policy via the NWO Round Table Physics and as vice-chair of the Nano, Quantum, and Materials Physics community.