English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The understanding of oxygen reduction reaction (ORR) activity on perovskiteoxide surfaces is essential for promising future fuel cell applications. Wereport a comparative study of ORR mechanisms on La$B$O$_3$ ($B$=Mn, Fe, Cr)surfaces by first-principles calculations based on density functional theory(DFT). Results obtained from varied DFT methods such as generalized gradientapproximation(GGA), GGA+$U$ and the hybrid Hartree-Fock density functionalmethod are reported for comparative purposes. We find that the resultscalculated from hybrid-functional method suggest that the order of ORR activityis LaMnO$_3$ $>$ LaCrO$_3$ $>$ LaFeO$_3$, which is in better agreement withrecent experimental results (Suntivich \textit{et al.}, Nature Chemistry 3, 546(2011)) than those using the GGA or GGA+$U$ method.

Oxygen reduction activity on perovskite oxide surfaces: a comparative first-principle study of LaMnO$_3$, LaFeO$_3$ and LaCrO$_3$