Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites
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Author(s)
Butler, KT
Kumagai, Y
Oba, F
Walsh, A
Type
Journal Article
Abstract
The rapid progress in performance of solar cells based on hybrid halide perovskites means that devices based on these materials have reached a stage where research interest can now focus on development of robust technology. One of the key questions relating to these (and indeed any) devices is their lifetime and stability which in turn is often influenced by the quality of interfaces and junctions within the device. In this study we present a methodology which allows screening for mechanically stable, electronically suitable interface combinations – applying the technique to screen 175 common semiconductors for viability as electron and hole extracting contacts for CH3NH3PbI3. The screening method can be applied to any semiconductor junction problem and relies on easily obtained experimental or theoretical information – electron affinity, ionisation potential, lattice parameters and crystal structure. From the screening we rank the candidates according to a figure of merit, which accounts for band alignment and chemical/mechanical stability of the interface. Our screening predicts stable interfaces with commonly applied electron extraction layers such as TiO2 and ZnO as well giving insight into the optimal polymorphs, surfaces and morphologies for achieving good quality contacts. Finally we also predict potentially effective new hole and electron extraction layers, namely Cu2O, FeO, SiC, GaN, and ZnTe.
Date Issued
2016-02-14
Date Acceptance
2015-12-22
Citation
Journal of Materials Chemistry C, 2016, 4 (6), pp.1149-1158
ISSN
2050-7534
Publisher
Royal Society of Chemistry
Start Page
1149
End Page
1158
Journal / Book Title
Journal of Materials Chemistry C
Volume
4
Issue
6
Copyright Statement
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
License URL
Subjects
Science & Technology
Technology
Physical Sciences
Materials Science, Multidisciplinary
Physics, Applied
Materials Science
Physics
ORGANOMETAL HALIDE PEROVSKITES
SINGLE-CRYSTALS
OXIDE CLUSTERS
THIN-FILMS
P-TYPE
PHOTOELECTRON-SPECTROSCOPY
TEMPERATURE-DEPENDENCE
PHOTOVOLTAIC CELLS
ENERGY POSITIONS
HOLE-CONDUCTOR
Publication Status
Published
Date Publish Online
2016-01-08