The schematic diagram of different Sn-5s and I-5p antibonding strengths of FASnI3 and MASnI3 due to various bond lengths of Sn–I.

Copper-catalyzed cross-coupling of ferrocenyl ketone-derived N-tosylhydrazones with benzo[d]oxazole leads to the direct C-H bond functionalization by a secondary ferrocenyl alkyl group. This direct C-H bond alkylation of azoles with N-tosylhydrazones bearing a ferrocenyl group uses inexpensive CuBr as the catalyst without any ligand. The reaction is operationally simple and conducted under mild conditions, giving the corresponding ferrocenyl-based ligands in moderate to good yields. Furthermore, they were able to act as bidentate ligands, giving rise to the corresponding palladium chelated complex 6a-6c, which were obtained by reaction of 5a-5c with [PdCl2(MeCN)2].

Perovskite (CH2)2NH2SnI3 and alloy (CH2)2NH2SnI2Br with excellent photovoltaic properties are designed theoretically.

No abstract

The long-term stability remains one of the main challenges for the commercialization of the rapidly developing hybrid organicinorganic perovskite solar cells. Herein, we investigate the electronic and optical properties of the recently reported hybrid halide perovskite (CH 2 ) 2 NH 2 PbI 3 (AZPbI 3 ), which exhibits a much better stability than the popular halide perovskites CH 3 NH 3 PbI 3 and HC(NH 2 ) 2 PbI 3 , by using density functional theory (DFT). We find that AZPbI 3 possesses a band gap of 1.31 eV, ideal for single-junction solar cells, and its optical absorption is compara-ble with those of the popular CH 3 NH 3 PbI 3 and HC(NH 2 ) 2 PbI 3 materials in the whole visible-light region. In addition, the conductivity of AZPbI 3 can be tuned from efficient p-type to ntype, depending on the growth conditions. Besides, the chargecarrier mobilities and lifetimes are unlikely hampered by deep transition energy levels, which have higher formation energies in AZPbI 3 according to our calculations. Overall, we suggest that the perovskite AZPbI 3 is an excellent candidate as a stable highperformance photovoltaic absorber material.