Issue 6, 2016

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

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.

Graphical abstract: Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

Supplementary files

Article information

Article type
Paper
Submitted
03 Dec 2015
Accepted
22 Dec 2015
First published
08 Jan 2016
This article is Open Access
Creative Commons BY license

J. Mater. Chem. C, 2016,4, 1149-1158

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

K. T. Butler, Y. Kumagai, F. Oba and A. Walsh, J. Mater. Chem. C, 2016, 4, 1149 DOI: 10.1039/C5TC04091D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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