Proceedings of 13th Conference on Hybrid and Organic Photovoltaics (HOPV21)
Publication date: 11th May 2021
Two-dimensional (2D) Ruddlesden–Popper perovskites (RPPs) of the form PEA2B11–xB2xI4 can be used as the tunable active layer in photovoltaics, as the passivating layer for 3D perovskite photovoltaics or in light emitting diodes.Previously, these material's band gap as a function of x has been shown to be nonlinear. The primary factor in this nonlinearity is the relative atomic energy levels of the B and X site consituents, with a smaller, secondary driver being the structural distortions by the size of the A, B and X sites.
As the atomic energy levels are similar for Pb and Ge are relatively similar, we show the nonlinearity is similar for PEA2Pb1–xSnxI4 and PEA2Ge1–xSnxI4, but the band gaps of the pure Ge system is much closer to that of the pure Sn system than the pure Pb system. Herein, we show a band gap for PEA2Ge0.75Sn0.25I4 that is lower than PEA2GeI4 or PEA2SnI4 through the use of GGA level density functional theory calculations. .
The authors would like to acknowledge the EPSRC and MUSICODE for funding and support throughout the duration of the project.
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