Spectacular enhancement of the thermal and photochemical stability of mapbi3 perovskite films using functionalized tetraazaadamantane as a molecular modifier

Perovskite solar cells represent a highly promising third-generation photovoltaic tech-nology. However, their practical implementation is hindered by low device operational stability, mostly related to facile degradation of the absorber materials under exposure to light and elevated temperatures. Improving the intrinsic stability of complex lead halides is a big scientific challenge, which might be addressed using various “molecular modifiers”. These modifiers are usually rep-resented by some additives undergoing strong interactions with the perovskite absorber material, resulting in enhanced solar cell efficiency and/or operational stability. Herein, we present a deriva-tive of 1,4,6,10-tetraazaadamantane, NAdCl, as a promising molecular modifier for lead halide perovskites. NAdCl spectacularly improved both the thermal and photochemical stability of methy-lammonium lead iodide (MAPbI3 ) films and, most importantly, prevented the formation of metallic lead Pb0 as a photolysis product. NAdCl improves the electronic quality of perovskite films by healing the traps for charge carriers. Furthermore, it strongly interacts with the perovskite framework and most likely stabilizes undercoordinated Pb2+ ions, which are responsible for Pb0 formation under light exposure. The obtained results feature 1,4,6,10-tetraazaadamantane derivatives as highly promising molecular modifiers that might help to improve the operational lifetime of perovskite solar cells and facilitate the practical implementation of this photovoltaic technology. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.This work was supported by Russian Science Foundation (project No. 19-73-30020). The XPS measurements were supported by the Ministry of Education and Science of the Russian Federation (project FEUZ-2020-0060), Theme ‘Electron’, no. AAAA-A18-118020190098-5 and Russian Foundation for Basic Research (project No. 21-52-52002)

Field induced single ion magnet based on a quasi octahedral Co ii complex with mixed sulfur oxygen coordination environment

Synthesis and characterization of structure and magnetic properties of the quasi octahedral complex pipH2 [Co TDA 2] 2H2O I , pipH22 piperazine dication, TDA2 amp; 8722; thiodiacetic anion are described. X ray diffraction studies reveal the first coordination sphere of the Co II ion, consisting of two chelating tridentate TDA ligands with a mixed sulfur oxygen strongly elongated octahedral coordination environment. SQUID magnetometry, frequency domain Fourier transform FD FT THz EPR spectroscopy, and high level ab initio SA CASSCF NEVPT2 quantum chemical calculations reveal a strong easy plane type magnetic anisotropy D amp; 8776; 54 cm amp; 8722;1 of complex I. The complex shows field induced slow relaxation of magnetization at an applied DC field of 1000 O