Ferroelectricity, characterized by reversible electric polarization under an external electric field, has long served as a cornerstone for non-volatile electronics and digital information storage technologies. In this talk, I will present our recent advances in understanding ferroelectric domain formation, polarization switching, and dynamic stability in low-dimensional ferroelectric materials through the integration of density functional theory (DFT), machine learning potentials, and deep learning molecular dynamics (DLMD) simulations. Beyond physical functionalities, I will also discuss how ferroelectric polarization can be exploited to regulate chemical reactions and energy conversion processes. Our recent studies highlight the critical role of switchable polarization in tailoring surface charge redistribution and interfacial electronic structures, thereby modulating reaction pathways and catalytic efficiencies in key systems, including photocatalytic water splitting, electrocatalytic CO₂ reduction, and nitrogen reduction reactions.

寇良志教授于南京航空航天大学获得博士学位，先后在德国不来梅大学、澳大利亚新南威尔士大学和昆士兰科技大学任职。其主要研究方向为低维纳米材料的第一性原理模拟，尤其关注力、电、磁等多物理场耦合现象及其在能源转换与存储、纳电子器件和催化等领域的应用。寇教授曾荣获洪堡研究基金（2012-2014）、澳大利亚ARC Discovery Early Career Researcher Award（DECRA，2018-2021），连续入选全球前2%顶尖科学家榜单（2021-2025），并获得贝塞尔研究奖（the Friedrich Wilhelm Bessel Research Award ，2025）及日本学术振兴会JSPS invitational fellow（2026年）。迄今，已在Nature Communications、Journal of the American Chemical Society、Nano Letters、ACS Nano、Advanced Science及Advanced Functional Materials等权威期刊上发表论文200余篇，论文总被引逾16,000次，h指数为68。