Weibin Chu

University of Science and Technology of China, Chinese Academy of Sciences

Projects

Theoretical studies of electronic structure and dynamics of photoactive molecule-solid interfaces

Lead Institution

University of Pittsburgh

Principal Investigator

Hrvoje Petek

Project type

Large-Scale EMSL Research

The experimental and theoretical understanding of photocatalysis is of vital importance for the solar-to-chemical energy conversion and for environmental remediation. Photocatalytic conversion of…

Time-dependent Nonadiabatic Investigations on the Photo-generated Carrier Dynamics at TiO2/molecule Interfaces

Lead Institution

University of Pittsburgh

Principal Investigator

Hrvoje Petek

Project type

Large-Scale EMSL Research

Band gap excitation of TiO2 instigates photocatalytic reactions. In the presence of molecular adsorbates the generated holes and electrons act as the reactants in the oxidation and reduction…

First principles investigations on the coupling of polaron and excited carrier dynamics at TiO2/molecule interface

Lead Institution

University of Pittsburgh

Principal Investigator

Hrvoje Petek

Project type

Large-Scale EMSL Research

We propose to perform computational studies of the structure and dynamics of polarons in TiO2 and related materials. The nature of charge carriers in photocatalytic semiconductors is crucial to their…