Atomic-Scale View at the Segregation of Alkali Metals toward the KTaO₃(001) Perovskite Surface.

ABSTRACT: Perovskites exhibit outstanding performance in applications such as photocatalysis, electrochemistry, or photovoltaics, yet their practical use is hindered by the instability of these materials under operating conditions, specifically caused by the segregation of alkali cations toward the surface. The problem arises from the bulk strain related to different cation sizes, as well as the inherent electrostatic instability of perovskite surfaces. Here, we focus on atomistic details of the surface-driven process of interlayer switching of alkali atoms at the inorganic perovskite surface. We show that the (001) surface of KTaO₃ cleaved at room temperature contains equally populated TaO₂ and KO terminations, while the uncompensated polarity of these terminations promotes di

SUBMITTER: Alexander A 

PROVIDER: S-EPMC11660036 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature