Prussian blue analogues as platform materials for understanding and developing oxygen evolution reaction electrocatalysts

Lee, Ji Hoon; Kattel, Shyam; Wang, Yan; Tackett, Brian M.; Xie, Zhenhua; Hwang, Sooyeon; Denny, Steven R.; Xu, Wenqian; Chen, Jingguang G.

doi:10.1016/j.jcat.2020.12.002

DOE OSTI · 1760639

Prussian blue analogues as platform materials for understanding and developing oxygen evolution reaction electrocatalysts

Lee, Ji Hoon·Kattel, Shyam·Wang, Yan·Tackett, Brian M.·Xie, Zhenhua·Hwang, Sooyeon·Denny, Steven R.·Xu, Wenqian·Chen, Jingguang G.

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Abstract

Transition metal based materials containing Fe have drawn great attention as oxygen evolution reaction (OER) catalysts. The nature of the electrocatalytic active species remains under debate due to the ambiguous physicochemical properties of the catalyst materials, such as the oxidation states and crystal structures. Here, in order to address this issue, transition metal Prussian blue analogues (TM-PBA, Na(TM)(Fe)(CN) 6 , TM = V, Fe, Co, and Ni) with an isomorphous structure are investigated for OER catalysis. Our combined experimental measurements and density functional theory (DFT) calculations reveal that TM-PBAs exhibit volcano-like OER activity with Ni-PBA located near the top of the volcano. Such a volcano-like activity profile can be attributed to the distinctive binding energy difference between *O and *OH on different TM-PBAs surfaces. This research demonstrates that TM-PBAs can be used as platform materials for understanding structure-property-activity relationships in OER catalysts.

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25 ENERGY STORAGE Binding energy difference Density functional theory Oxygen evolution reaction Platform materials Prussian blue analogues binding energy difference density functional theory oxygen evolution reaction platform materials

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Lee, Ji Hoon, Kattel, Shyam, Wang, Yan, Tackett, Brian M., Xie, Zhenhua, Hwang, Sooyeon, Denny, Steven R., Xu, Wenqian, Chen, Jingguang G.. 2020-12-15. Prussian blue analogues as platform materials for understanding and developing oxygen evolution reaction electrocatalysts. https://doi.org/10.1016/j.jcat.2020.12.002

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