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Solar Cells: Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot‐Sensitized Solar Cells (Part. Part. Syst. Charact. 1/2015)
Author(s) -
Xin Xukai,
Li Bo,
Jung Jaehan,
Yoon Young Jun,
Biswas Rana,
Lin Zhiqun
Publication year - 2015
Publication title -
particle and particle systems characterization
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.877
H-Index - 56
eISSN - 1521-4117
pISSN - 0934-0866
DOI - 10.1002/ppsc.201570001
Subject(s) - quantum dot , ab initio , charge (physics) , materials science , semiconductor , conduction band , adiabatic process , multiple exciton generation , electron transfer , molecular physics , optoelectronics , electron , chemical physics , condensed matter physics , chemistry , physics , quantum mechanics
A rigorous ab initio density functional approach was used to simulate the electronic properties of quantum dots (QDs) with different sizes on the TiO 2 substrate. As described by Z. Lin and co‐workers on page 80, electron bridging states between QDs and TiO 2 were found, corroborating the fast adiabatic charge transfer from QD to TiO 2 . Increasing conduction band offsets together with decreasing QD size facilitated the charge transfer from QDs to TiO 2 .
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