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Dopant Evolution in Electrocatalysts after Hydrogen Oxidation Reaction in an Alkaline Environment

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Lee,  Yonghyuk
Theory, Fritz Haber Institute, Max Planck Society;

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Citation

Yoo, S.-H., Aota, L. S., Shin, S., El-Zoka, A. A., Kang, P. W., Lee, Y., et al. (2023). Dopant Evolution in Electrocatalysts after Hydrogen Oxidation Reaction in an Alkaline Environment. ACS Energy Letters, 8(8), 3381-3386. doi:10.1021/acsenergylett.3c00842.


Cite as: https://hdl.handle.net/21.11116/0000-000D-8909-F
Abstract
Introduction of interstitial dopants has opened a new pathway to optimize nanoparticle catalytic activity for, e.g., hydrogen evolution/oxidation and other reactions. Here, we discuss the stability of a property-enhancing dopant, B, introduced through the controlled synthesis of an electrocatalyst Pd aerogel. We observe significant removal of B after the hydrogen oxidation reaction. Ab initio calculations show that the high stability of subsurface B in Pd is substantially reduced when H is adsorbed/absorbed on the surface, favoring its departure from the host nanostructure. The destabilization of subsurface B is more pronounced, as more H occupies surface sites and empty interstitial sites. We hence demonstrate that the H2 fuel itself favors the microstructural degradation of the electrocatalyst and an associated drop in activity.