873536-93-7Relevant articles and documents
Halogen-halogen bonds enable improved long-term operational stability of mixed-halide perovskite photovoltaics
Fu, Xinliang,He, Tingwei,Hsu, Hsien-Yi,Jiang, Yuanzhi,Lei, Xiaojuan,Li, Xiaofang,Sun, Pingchuan,Wang, Di,Wang, Mei,Yuan, Mingjian,Zhang, Shifu,Zhao, Dongbing
supporting information, p. 3131 - 3143 (2021/11/16)
Mixed-halide perovskite provides band-gap tunability, which is essential for tandem solar cell application. However, ion migration inducing phase segregation seriously affects the device's long-term operational stability. The issue thus represents an important challenge for the whole perovskite community and urgently needs effective solutions. We showcase here for the first time that a strong chemical interaction, a halogen-halogen bond, is introduced at the phase interface to suppress the ion migration by increasing the corresponding activation energy. Various characterizations have proved that halogen-halogen bonds form between 2D and 3D phases, which do suppress the halide segregation. As expected, the encapsulated device retains 90% of initial power conversion efficiency (PCE) after maximum power point (MPP) tracking for ～500 h under continuous simulated 1-sun illumination (AM 1.5) in ambient conditions, representing one of the most stable, wide-band-gap, mixed-halide perovskite photovoltaics reported so far.
Concurring Chalcogen- and Halogen-Bonding Interactions in Supramolecular Polymers for Crystal Engineering Applications
Biot, Nicolas,Bonifazi, Davide
supporting information, (2020/02/20)
The engineering of crystalline molecular solids through the simultaneous combination of distinctive non-covalent interactions is an important field of research, as it could allow chemist to prepare materials depicting multi-responsive properties. It is in this context that, pushed by a will to expand the chemical space of chalcogen-bonding interactions, a concept is put forward for which chalcogen- and halogen-bonding interactions can be used simultaneously to engineer multicomponent co-crystals. Through the rational design of crystallizable molecules, chalcogenazolo pyridine scaffold (CGP) modules were prepared that, bearing either a halogen-bond acceptor or donor at the 2-position, can interact with suitable complementary molecular modules undergoing formation of supramolecular polymers at the solid state. The recognition reliability of the CGP moiety to form chalcogen-bonded dimers allows the formation of heteromolecular supramolecular polymers through halogen-bonding interactions, as confirmed by single-crystal X-ray diffraction analysis.
Halogen Bonding Molecular Capsules
Dumele, Oliver,Trapp, Nils,Diederich, Fran?ois
supporting information, p. 12339 - 12344 (2015/10/12)
Molecular capsules based solely on the interaction of halogen bonding (XB) are presented along with their host-guest binding properties in solution. The first example of a well-defined four-point XB supramolecular system is realized by decorating resorcin[4]arene cavitands with polarized halogen atoms for dimerization with tetra(4-pyridyl) resorcin[4]arene cavitands. NMR binding data for the F, Cl, Br, and I cavitands as the XB donor show association constants (Ka) of up to 5370 M-1 (ΔG283 K=-4.85 kcal mol-1, for I), even in XB-competitive solvent, such as deuterated benzene/acetone/methanol (70:30:1) at 283 K, where comparable monodentate model systems show no association. The XB capsular geometry is evidenced by two-dimensional HOESY NMR, and the thermodynamic profile shows that capsule formation is enthalpically driven. Either 1,4-dioxane or 1,4-dithiane are encapsulated within each of the two separate cavities within the XB capsule, with of up to Ka=9.0 108 M-2 (ΔG283 K=-11.6 kcal mol-1).
