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Globularity-selected large molecules for a new generation of multication perovskites
, Article Advanced Materials ; Volume 29, Issue 38 , 2017 ; 09359648 (ISSN) ; Ali, A. M ; Correa Baena, J. P ; Turren Cruz, S. H ; Tajabadi, F ; Tress, W ; Taghavinia, N ; Grätzel, M ; Abate, A ; De Angelis, F ; Gaggioli, C. A ; Mosconi, E ; Hagfeldt, A ; Saliba, M ; Sharif University of Technology
Abstract
Perovskite solar cells (PSCs) use perovskites with an APbX3 structure, where A is a monovalent cation and X is a halide such as Cl, Br, and/or I. Currently, the cations for high-efficiency PSCs are Rb, Cs, methylammonium (MA), and/or formamidinium (FA). Molecules larger than FA, such as ethylammonium (EA), guanidinium (GA), and imidazolium (IA), are usually incompatible with photoactive “black”-phase perovskites. Here, novel molecular descriptors for larger molecular cations are introduced using a “globularity factor”, i.e., the discrepancy of the molecular shape and an ideal sphere. These cationic radii differ significantly from previous reports, showing that especially ethylammonium (EA)...