Performance of metalloporphyrin malonic acids as dye sensitizers for use in dye-sensitized solar cells assessed by density functional theory

The performance of metallo (Zn, Cd, Hg) tetra (4-methylphenyl) porphyrin malonic acids as dye sensitizers for use in dye-sensitized solar cells (DSSCs) is assessed by means of ab initio molecular electronic structure calculations. The results reveal that malonic acid side chain cannot be described a...

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Veröffentlicht in:	Materials science in semiconductor processing 2014-10, Vol.26, p.119-129
Hauptverfasser:	Shalabi, A.S., Assem, M.M., Soliman, K.A., El Mahdy, A.M., Taha, H.O.
Format:	Artikel
Sprache:	eng
Schlagworte:	Acceptors (electronic) Applied sciences Assessing Cadmium Characterization Condensed matter: electronic structure, electrical, magnetic, and optical properties DFT DSSCs Dyes Electron states Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Electronics Energy Energy gaps (solid state) Exact sciences and technology Mercury (metal) Metalloporphyrins Methods of electronic structure calculations Molecular electronics, nanoelectronics Natural energy Photovoltaic conversion Physics Porphyrins Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices Semiconductors Solar cells Solar cells. Photoelectrochemical cells Solar energy TD-DFT
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