01617nas a2200265 4500008004100000022001400041245010300055210006900158260000800227300001400235490000600249520073700255653001800992653002001010653001501030653000901045653003001054653000901084100002301093700002101116700002201137700003601159700002501195856013101220 2020 eng d a2574-096200aTweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C0 aTweaking palladium electronic structure to attain oxygen reducti cJUL a6127-61320 v33 a

Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.

10ad-band center10aDFT calculation10adurability10aEuPd10aoxygen reduction reaction10aYbPd1 aSarma, Saurav, Ch.1 aKaja, Sai, Manoj1 aMishra, Vidyanshu1 aVinod, Chathakudath, Prabhakara1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/tweaking-palladium-electronic-structure-attain-oxygen-reduction-activity-superior-platinumc