Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions.

ABSTRACT: Exploratory synthesis of solids is essential for the advancement of materials science but is also highly time- and resource-intensive. Here, we demonstrate an efficient strategy to explore solid-state synthesis of quaternary cesium chlorides in the search space of Cs_nA^IBCl₆ (n = 2 or 3, A = Li, Na or K, and B = d or p-block metal), where the target compositions are selected from a pool of candidates based on computationally predicted stabilities and availability of viable precursor powders. Synthesizability of the targets is assessed by observing the evolution of starting phases upon heating under in situ synchrotron X-ray diffraction. Laboratory synthesis is attempted for promising targets, and resulting materials are characteri

SUBMITTER: Miura A 

PROVIDER: S-EPMC11528441 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature