Combining experiment and theory to elucidate the role of supercritical water in sulfide decompositionPhysical Chemistry Chemical Physics - Tập 16 Số 20 - Trang 9220-9228
Yuko Kida, Caleb A. Class, Anthony Joseph Concepcion, Michaël T. Timko, William H. Green
Supercritical water is observed to react with alkyl sulfides, forming H2S, CO, and alkanes. Quantum chemistry calculations show this occurs via a multistep mechanism involving both free radical and pericyclic reactions, with water acting as both a reagent and a catalyst.
Data-driven generation of mixed X-anion perovskite propertiesPhysical Chemistry Chemical Physics - Tập 24 Số 47 - Trang 29120-29129
Junjie Hu, Zhe-Yong Zhang, Guoxiang Zhao, Qiaohong Li, Peng Gao, Rongjian Sa
Mixed X-anion perovskites, such as CsPbX3 (X = Cl, Br, or I), play an important role in photovoltaic applications.