Abstract We search for homovalent alternatives A, B, and X-ions in ABX 3 type inorganic halide perovskites suitable tandem solar cell applications. replace the conventional A-site organic cation CH NH , by cations, Cs, K, Rb, B site consists of metals; Cd, Hg, Ge, Pb, Sn This work is built on our previous high throughput screening hybrid perovskite materials (Kar et al 2018 J. Chem. Phys. 149 214701). By performing a systematic study using Density Functional Theory (DFT) methods, we found 11...

We aim to find homovalent alternatives for lead and iodine in CH3NH3PbI3 perovskites that show bandgaps suitable building novel perovskite-perovskite tandem solar cells. To this end, we employ a computational screening materials with bandgap between 1.0 eV 1.9 eV, using density functional theory calculations at the Perdew-Burke-Ernzerhof Heyd-Scuseria-Ernzerhof levels of theory. The room-temperature stability their phases satisfy criteria is evaluated based on empirical Goldschmidt tolerance...

This report presents a silver-mediated site-selective chalcogenation of tryptophan-containing peptides with various dichalcogenides (disulfides/diselenides) at room temperature in good to excellent yields. The significant features include broad substrate scope, functional group diversity, late-stage modification drug molecules (Dopamine and Levodopa), valuable postsynthetic transformations under mild conditions.

Natural α‐amino acids are building blocks of biomacromolecules proteins and peptides, which essential for living organisms. Recently, structurally modified amino their peptides have received high demand the development various types biomaterials, including therapeutic drug candidates. For example, chalcogenated serve as privileged structural scaffolds, derived from native acids. Given widespread utility sulfur/selenium‐containing compounds in biological, pharmaceutical, medicinal chemistry,...