Lili Zhang

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

0000-0001-9243-7960

Projects

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…

Theoretical study of photoreduction of CO2 on TiO2 surface

Lead Institution

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

Principal Investigator

Jin Zhao

Project type

Exploratory Research

The efficient photoreduction of carbon dioxide to a fuel is a major hurdle in the neutral energy cycle of CO2, and TiO2 is one of the most intensively studied photocatalytic materials for CO2…