Collaborative Research: Excited State Dynamics of Organic Metal Halide Hybrids

Northwestern University, Evanston IL

Investigators

Abstract

In this project funded by the Chemical Mechanism, Function, and Properties Program of the Chemistry Division, Professors Biwu Ma, Bin Ouyang of Florida State University and Professor Lin X. Chen of Northwestern University will investigate how light-induced structural changes in hybrid materials affect their optical and electronic behaviors. By combining material design, ultrafast optical and X-ray techniques, and theoretical modeling, the team will study an emerging class of organic-inorganic hybrid materials, organic metal halide hybrids (OMHHs), with deformable lattices. The project will provide insights to guide the development of next-generation light-responsive materials and devices. Participating graduate and undergraduate students will receive interdisciplinary training in synthesis, spectroscopy, and theory. The project’s findings will also support science education through outreach activities such as summer programs and public exhibitions. This project addresses fundamental questions about the coupling between electronic and atomic motions in photoactive materials, focusing on OMHHs with controllable 0D, 1D, and 2D structures. These low-dimensional systems offer an ideal platform to explore how structural reorganization under light excitation influences exciton dynamics and carrier transport. The research will combine three major strategies: (i) ultrafast optical spectroscopy to track charge carrier and exciton localization and dynamics on femtosecond timescales, (ii) ultrafast X-ray absorption and scattering techniques to reveal structural reorganizations at the atomic level, and (iii) density functional theory (DFT) calculations to model excited-state properties and structure–function relationships. The findings will advance fundamental knowledge of light-matter interactions and inform the rational design of next-generation hybrid materials with tunable optical and electronic properties. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.