Deciphering Local Microstrain-Induced Optimization of Asymmetric Fe Single Atomic Sites for Efficient Oxygen Reduction.

ABSTRACT: Disrupting the symmetric electron distribution of porphyrin-like Fe single-atom catalysts has been considered as an effective way to harvest high intrinsic activity. Understanding the catalytic performance governed by geometric microstrains is highly desirable for further optimization of such efficient sites. Here, we decipher the crucial role of local microstrain in boosting intrinsic activity and durability of asymmetric Fe single-atom catalysts (Fe-N₃S₁) by replacing one N atom with S atom. The high-curvature hollow carbon nanosphere substrate introduces 1.3% local compressive strain to Fe-N bonds and 1.5% tensile strain to Fe-S bonds, downshifting the d-band center and accelerating the kinetics of *OH reduction. Consequently, highly curved Fe-N₃S_1<

SUBMITTER: Zhang P 

PROVIDER: S-EPMC12106294 | biostudies-literature | 2025 May

REPOSITORIES: biostudies-literature