Prof. Yamazaki’s paper was selected as the cover art!
Local structures that activate proton conduction in oxides have remained unsolved since the discovery of the phenomenon in 1981. Here, in situ X-ray absorption spectroscopy and ab initio Monte Carlo simulations are combined to reveal that oxygen vacancies sandwiched by one or two Sc dopants are the active centers.
Research paper information
Journal: Chemistry of Materials, 35, 6, 2289–2301, 2023
Title: Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Scdoped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations
Authors: Kenta Hoshino, Shusuke Kasamatsu, Junji Hyodo, Kentaro Yamamoto, Hiroyuki Setoyama, Toshihiro Okajima, and Yoshihiro Yamazaki*