TY - JOUR
T1 - Unraveling Bulk versus Surface Passivation Effects in Highly Efficient p–i–n Perovskite Solar Cells Using Thiophene-Based Cations
AU - Pica, Giovanni
AU - Montecucco, Riccardo
AU - Zanetta, Andrea
AU - Oranskaia, Aleksandra
AU - Faini, Fabiola
AU - Pancini, Lorenzo
AU - Mrkyvkova, Nada
AU - Siffalovic, Peter
AU - Dally, Pia
AU - Pirota, Valentina
AU - Ledinsky, Martin
AU - De Bastiani, Michele
AU - De Wolf, Stefaan
AU - Doria, Filippo
AU - Schwingenschlögl, Udo
AU - Grancini, Giulia
N1 - Publisher Copyright:
© 2024 Wiley-VCH GmbH.
PY - 2024/5
Y1 - 2024/5
N2 - Defect passivation is nowadays considered a must-have route for high-efficiency perovskite solar cells. However, a general rule that correlates the choice of passivating agents with performance enhancements is still missing. Herein, two different thiophene salts that are used as passivating agents are compared, namely thiophene methylammonium chloride and thiophene ethylammonium chloride (TEACl), which are used for the passivation of bulk and surface defects in triple-cation-based metal halide perovskites. First, it is observed that the surface passivation method leads to better device performances reaching a power conversion efficiency of 23.56%, with reduced voltage losses and increased fill factor when compared with the reference. Second, it is demonstrated that the chemical structure of the cation dictates its capability either in passivating bulk defects effectively or to form a superficial two-dimensional/three-dimensional heterostructure, which happens only for the TEACl case. The chemical composition and the cation dimension are responsible for device performance enhancement as observed by a joint spectroscopic and density functional theory simulations study, providing rational guidelines for further smart device design.
AB - Defect passivation is nowadays considered a must-have route for high-efficiency perovskite solar cells. However, a general rule that correlates the choice of passivating agents with performance enhancements is still missing. Herein, two different thiophene salts that are used as passivating agents are compared, namely thiophene methylammonium chloride and thiophene ethylammonium chloride (TEACl), which are used for the passivation of bulk and surface defects in triple-cation-based metal halide perovskites. First, it is observed that the surface passivation method leads to better device performances reaching a power conversion efficiency of 23.56%, with reduced voltage losses and increased fill factor when compared with the reference. Second, it is demonstrated that the chemical structure of the cation dictates its capability either in passivating bulk defects effectively or to form a superficial two-dimensional/three-dimensional heterostructure, which happens only for the TEACl case. The chemical composition and the cation dimension are responsible for device performance enhancement as observed by a joint spectroscopic and density functional theory simulations study, providing rational guidelines for further smart device design.
KW - 2D/3D heterostructure
KW - bulk passivation
KW - perovskite solar cells
KW - surface passivation
KW - thiophene-based passivants
UR - http://www.scopus.com/inward/record.url?scp=85188878744&partnerID=8YFLogxK
U2 - 10.1002/solr.202300681
DO - 10.1002/solr.202300681
M3 - Article
AN - SCOPUS:85188878744
SN - 2367-198X
VL - 8
JO - Solar RRL
JF - Solar RRL
IS - 9
M1 - 2300681
ER -