Dresden 2020 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 60: Perovskite and photovoltaics V (joint session HL/CPP)
HL 60.1: Talk
Thursday, March 19, 2020, 09:30–09:45, POT 251
Surface Properties of FAxCs1−xPb(IyBr1−y)3 — •Julian Gebhardt1, Daniel Urban1, and Christian Elsässer1,2 — 1Fraunhofer IWM, Wöhlerstraße 11, D-79108 Freiburg — 2FMF Universität Freiburg, Stefan-Meier-Straße 21 D-79104 Freiburg
Since the rise of hybrid perovskites as promising material for photovoltaic applications inspired by MAPbI3 (MA=CH3NH3+), many research efforts have been directed towards overcoming practical issues of such light absorbing layers. Apart from replacing silicon as absorber in single-junction solar cells, a promising route is to combine perovskites with established materials in multi-junction tandem cells. For these applications, hybrid perovskite design, i.e., mixing inorganic and organic ions in order to balance stability and light absorbing properties, changes in terms of target properties. This search temporarily concluded in materials of the type FAxCs1−xPb(IyBr1−y)3 (FA=HC(NH2)2+), with x ≈ 0.8 and y ≈ 0.7. During the extensive search for perovskite based absorber materials, theoretical understanding has proven vital to navigate the huge combinatorial space. Naturally, such investigations focused on bulk properties. This neglects the important step from lab scale absorber materials design towards working devices that require contacting and possibly passivation.
We present an investigation of surface properties of the FAxCs1−xPb(IyBr1−y)3 family by electronic-structure theory to guide future interface optimization for these and other absorber materials. Focusing on non-polar surfaces, we investigate the stability and effects on the electronic-structure.