@article{33309,
  author = {Bae-Jung Kim and Xi Cheng and Daniel F Abbott and Emiliana Fabbri and Francesco Bozza and Thomas Graule and Ivano E Castelli and Luke Wiles and Nemanja Danilovic and Katherine E Ayers and Nicola Marzari and Thomas J Schmidt},
  title = {Highly Active Nanoperovskite Catalysts for Oxygen Evolution Reaction: Insights into Activity and Stability of Ba <sub>0.5</sub>Sr<sub>0.5</sub>Co <sub>0.8</sub>Fe<sub>0.2</sub>O <sub>2+δ</sub> and PrBaCo<sub>2</sub>O<sub>5+δ</sub>},
  abstract = {<p><span>It is shown that producing PrBaCo</span><span>2</span><span>O</span><span>5+δ</span><span>\&nbsp;and Ba</span><span>0.5</span><span>Sr</span><span>0.5</span><span>Co</span><span>0.8</span><span>Fe</span><span>0.2</span><span>O</span><span>2+δ</span><span>\&nbsp;nanoparticle by a scalable synthesis method leads to high mass activities for the oxygen evolution reaction (OER) with outstanding improvements by 10{\texttimes} and 50{\texttimes}, respectively, compared to those prepared via the state-of-the-art synthesis method. Here, detailed comparisons at both laboratory and industrial scales show that Ba</span><span>0.5</span><span>Sr</span><span>0.5</span><span>Co</span><span>0.8</span><span>Fe</span><span>0.2</span><span>O</span><span>2+δ</span><span>\&nbsp;appears to be the most active and stable perovskite catalyst under alkaline conditions, while PrBaCo</span><span>2</span><span>O</span><span>5+δ</span><span>\&nbsp;reveals thermodynamic instability described by the density-functional theory based Pourbaix diagrams highlighting cation dissolution under OER conditions.\&nbsp;</span><em>Operando</em><span>\&nbsp;X-ray absorption spectroscopy is used in parallel to monitor electronic and structural changes of the catalysts during OER. The exceptional BSCF functional stability can be correlated to its thermodynamic meta-stability under OER conditions as highlighted by Pourbaix diagram analysis. BSCF is able to dynamically self-reconstruct its surface, leading to formation of Co-based oxy(hydroxide) layers while retaining its structural stability. Differently, PBCO demonstrates a high initial OER activity while it undergoes a degradation process considering its thermodynamic instability under OER conditions as anticipated by its Pourbaix diagram. Overall, this work demonstrates a synergetic approach of using both experimental and theoretical studies to understand the behavior of perovskite catalysts.</span></p>},
  year = {2018},
  booktitle = {Advanced Functional Materials},
  journal = {Advanced Functional Materials},
  series = {Advanced Functional Materials},
  volume = {28},
  pages = {1804355},
  month = {09/2018},
  doi = {10.1002/adfm.201804355},
  language = {eng},
}