期刊
ACS CATALYSIS
卷 9, 期 6, 页码 5074-5083出版社
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.9b00800
关键词
A-site excess; first-principles; perovskite catalyst; bifunctional; polymer-assisted
资金
- New Mexico EPSCoR [NSF-1301346]
- Idaho National Laboratory Directed Research and Development Program under DOE Idaho Operations Office [DE-AC07-05ID14517]
- ACS-PRF [58740-UR6]
- Extreme Science and Engineering Discovery Environment (XSEDE) TACC at the stampede2 through allocation [TG-DMR140131]
Nominal A-site excessive (La0.8Sr0.2)(1+x)MnO3 (x = 0, 0.05, and 0.1) (denoted as LSM, LS1.05M, and LS1.1M) perovskite oxides have been synthesized by the polymer-assisted chemical solution (PACS) method for bifunctional oxygen electrocatalysis, including both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) applications in alkaline media. LS1.05M exhibits 21% higher diffusion-controlled ORR current density, 87% higher OER current density at 0.8 V (vs Ag/AgCl 3.5 M), and ultralow electrochemical impedance compared to pristine LSM. LS1.1M has mixed performance relative to LSM due to structure instability. First-principles study by density functional theory (DFT) suggests that the free energy decrease from O* to *OOH is the rate-limiting step in OER. Transition metal d-band center and oxygen p-band center approaching the Fermi level are responsible for the enhanced electrochemical activity.
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