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职称:Assistant Professor
所属学校:University of Chicago
所属院系:chemistry
所属专业:Chemistry, General
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Organic molecules exhibit a rich interplay of strong electronic interactions and coupling to vibrations. These characteristics manifest in both the linear response and non-equilibrium dynamics. We develop a theoretical understanding of these materials using fully ab initio techniques as well as reduced models with first- principles parameterizations. A recent area of interest is the photophysical process of singlet exciton fission, whereby an excited singlet exciton decays into two lower- energy triplet excitons, for which we use a combination of static electronic structure and quantum relaxation techniques. More generally, we are interested exploring the theory of energy and charge transport in single molecules, where environment- induced fluctuations can have drastic implications, and we are also developing first- principles techniques for nonlinear electronic spectroscopies.
The electronic and optical properties of inorganic semiconductors can undergo fascinating changes in situations of reduced dimensionality or hetero-structuring. Semiconductor quantum dots are a prototypical example, demonstrating a (zero- dimensional) quantum confinement effect and concomitant structure-function relationship. We are interested in understanding the dynamics of exciton and charge trapping at quantum dot surfaces, including the role played by electronically active ligands. We are also actively researching the atomic and electronic structure of quasi-two-dimensional transition metal dichalcogenides, such as MoS2, where a reduced screening strength yields inorganic excitonic complexes with unprecedented binding energies. A current area of our focus is the electronic structure of the hybrid organic-inorganic perovskites, such as methyl ammonium lead iodide.
