Title
Effect of halide-mixing on the electronic transport properties of organometallic perovskites Effect of halide-mixing on the electronic transport properties of organometallic perovskites
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam :Elsevier science bv ,
Subject
Physics
Engineering sciences. Technology
Source (journal)
Solar energy materials and solar cells. - Amsterdam
Source (book)
2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO
Volume/pages
148(2016) , p. 2-10
ISSN
0927-0248
ISI
000371944500002
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved.
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