Award/Availability

Open Access Honors Program Thesis

First Advisor

Jeffrey Elbert

Keywords

Solar cells--Materials; Light absorption; Ruthenium compounds;

Abstract

After extensive review of the field of dye-sensitized solar cells, the molecule [Ru(4,4’- dicarboxy-2,2’-bipyridine)(4,4’-di-(2-(2-pyridyl)ethenyl)-2,2’-bipyridine)(NCS)2] has been designed as an original contribution to the field. This dye sensitizer was chosen by derivatizing upon the structure of the standard sensitizer, cis-diisothiocyanatobis(4,4’-dicarboxylic acid-2,2’- bipyridine)ruthenium(II) (N3), by extending the conjugation of one bipyridine ligand. This structural derivatization should enhance light harvesting by red-shifting the dye’s absorbance and increasing the dye’s molar absorptivity, which should result in a dye-sensitized solar cell with higher efficiency. The Density Functional Theory (DFT) molecular orbital calculations of the new dye complex indicate that the HOMO is highly localized around the NCS ligands, while the LUMO is shifted toward the anchoring 4,4’-dicarboxylic acid-2,2’-bipyridine ligand. The final dye complex has not been completed, but the synthesis of the previously unpublished 4,4’-di-(2- (2-pyridyl)ethenyl)-2,2’-bipyridine ligand is described. The product was characterized by 1HNMR and LC/MS.

Date of Award

2010

Department

Department of Chemistry and Biochemistry

University Honors Designation

A thesis submitted in partial fulfillment of the requirements for the designation University Honors

Date Original

5-2010

Object Description

1 PDF file (ix, 36 pages)

Language

EN

File Format

application/pdf

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