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Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO2 Interface in Quantum Dot-Sensitized Solar Cells

TitleAb Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO2 Interface in Quantum Dot-Sensitized Solar Cells
Publication TypeJournal Article
Year of Publication2015
AuthorsXin, XK, Li, B, Jung, JH, Yoon, YJ, Biswas, R, Lin, ZQ
Journal Particle Systems Characterization
Volume32
Pagination80-90
Date Published01
Type of ArticleArticle
ISBN Number0934-0866
Accession NumberWOS:000347727600010
Keywordsanatase tio2, cdse, energy-transfer, enhanced, low-cost, multiple exciton generation, nanocrystals, optical-properties, performance, photoinduced electron-transfer, tio2 nanoparticles
Abstract

account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.

DOI10.1002/ppsc.201400111
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Photonics