Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 8, 2015
Previous Article Next Article

The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study

Author affiliations

Abstract

We present a density functional theory (DFT) study aimed at understanding the injection and recombination processes that occur at the interface between PbS QDs and TiO2 oxide nanoparticles with different morphologies. The calculated injection rates fall in the picosecond timescale in good agreement with the experiments. In addition, our simulations show that the (101) facet of TiO2 more favourably accommodates the QD, resulting in stronger electronic couplings and faster electron injections than the (001) surfaces. Despite this, the (101) slab is also more prone to faster electron recombination with the valence band of the QD, which can lead to overall lower injection efficiencies than the (001) surface.

Graphical abstract: The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study

Back to tab navigation

Supplementary files

Article information


Submitted
29 Oct 2014
Accepted
13 Jan 2015
First published
13 Jan 2015

Phys. Chem. Chem. Phys., 2015,17, 6076-6086
Article type
Paper
Author version available

The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study

J. M. Azpiroz, J. M. Ugalde, L. Etgar, I. Infante and F. De Angelis, Phys. Chem. Chem. Phys., 2015, 17, 6076
DOI: 10.1039/C4CP04976D

Social activity

Search articles by author

Spotlight

Advertisements