Experimental and Computational Characterization of the Structure and Electronic Properties of Novel Porphyrins for Solar Cells
EMSL Project ID
45797
Abstract
The proposed project will be primarily computational studies carried out in collaboration with Dr. Niri Govind, Dr. Kenneth Lopata, and Dr. Karol Kowalski (PNNL/EMSL Molecular Science Computing). The studies will focus on novel materials for solar energy conversion that are being studied experimentally in the Wamser research group at Portland State University. Work will be mainly carried out by Alex Rudine, a graduate student in the Wamser group who is supported by a DOE Office of Science Graduate Fellowship (DOE SCGF). The key areas of research are as follows: 1) Tetra(4-aminophenyl)porphyrin (TAPP) is polymerized to form a conductive polymer with nanofibrous morphology; the origins of the electronic conductivity will be investigated. 2) New synthetic porphyrin dyes will be evaluated with an eye to optimizing their functions as solar light harvesting dyes and electron-transfer agents. 3) Adsorption of dyes onto surfaces of anatase TiO2 will be modeled in order to optimize their functionality in dye-sensitized solar cells and predict suitable coadsorbents. 4) Ultrafast electron-transfer kinetics will be modeled between adsorbed dyes and the surface of anatase TiO2. 5) Experimental studies using the high-field solid-state NMR at PNNL will be used to elucidate the structure of poly-TAPP (collaboration with Dr. Andrew Lipton).
Project Details
Project type
Exploratory Research
Start Date
2011-11-17
End Date
2012-11-18
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members