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Christopher E. Patrick and Feliciano Giustino Solar Cells: Structural and Electronic Properties of Semiconductor-Sensitized Solar-Cell Interfaces (Adv. Funct. Mater. 24/2011) Advanced Functional Materials 21

Version of Record online: 13 DEC 2011 | DOI: 10.1002/adfm.201190117

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On page 4663, Christopher E. Patrick and Feliciano Giustino investigate the interface between TiO2 and Sb2S3 found in semiconductor-sensitized solar cells by means of first principle calculations. An atomistic model of the TiO2 and Sb2S3 interface is proposed and the interfacial energy-level alignment and ideal open-circuit voltage are determined. The analysis of other isostructural sensitizers indicates that anti-monselite (Sb2Se3) holds potential for delivering higher energy conversion efficiencies than the TiO2/Sb2S3 system.

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