Understanding and mitigating A-site surface enrichment in Ba-containing perovskites: a combined computational and experimental study of BaFeO3
Jiapeng Liu, Jun Kyu Kim, Yuhao Wang, Hyunseung Kim, Alessio Belotti, Bonjae Koo, Zheng Wang, WooChul Jung, Francesco Ciucci
IF 32.5Energy & Environmental Science
초록
In the perovskite oxide BaFeO 3 , inducing a tensile in-plane strain or introducing a larger radius cation suppresses the surface Ba enrichment. In turn, a reduced surface Ba concentration improves the surface electrocatalytic activity.