Bin Shi Email & Phone Number

Chicago, Il, Us

Sunnyvale, California, United States

Waterloo, Iowa, United States

During my Ph.D research, I performed systematic studies on the two transition metal oxide systems, copper oxide cluster anions and metal organic frameworks (MOFs), using various first principle methods: density functional theory (DFT), time-dependent DFT and the GW method. For copper oxide cluster anions, by a systematic comparison of computed spectra to experimental photoelectron spectra, I found the theoretical success hinges on a number of constraints, such as self-interaction error and non-dynamical correlation, which are difficult to fulfill simultaneously. My findings call for careful assessment in functional choice for small transition metal oxide cluster. For the MOFs, due to their tunable structures, I engineered the band gap by atomic substitution, and discussed the mechanism and orbital characters of the excitation. The systematic manipulation of the band gap for visible light absorption can utilize MOFs as visible light luminescent materials, photocatalysis and so on.

Assist to teach graduate-level Quantum Mechanics, Electronic Dynamics, Solid State Physics and many undergraduate-level courses.

Master Of Science (M.S.) In Statistics

Doctor Of Philosophy (Phd) In Computational Condensed Matter Physics

1. Explore the electronic and optical properties of transition-metal oxide nanostructures and metal organic frameworks (MOFs). 2. Modeling.

Bachelor Of Science (B.S.) In Physics