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Beta-PdBi2 Monolayer: Two-Dimensional Topological Metal with Superior Catalytic Activity for Carbon Dioxide Electroreduction to Formic Acid

preprint
submitted on 31.03.2020 and posted on 01.04.2020 by Xiaorong Zhu, Yu Wang, Yu Jing, Thomas Heine, Yafei Li
The lack of efficient electrocatalysts has been a main obstacle for the large-scale commercialization of CO2 electroreduction. In this work, we demonstrate that two-dimensional (2D) beta-PdBi2 mono-layer is a promising solution for this issue. beta-PdBi2 monolayer is a stable 2D crystal and the three-dimensional (3D) bulk interlayer energy is similar as for other layered materials that can be exfoliated into 2D crystals. Interestingly, beta-PdBi2 monolayer has rather intri-guing electronic properties: while being metallic, it also has a non-trivial topological point. Remarkably, the extra electronic states at the Fermi level induced by the intrinsic spinorbit coupling (SOC) effect significantly enhance the adsorption of OCHO* intermediate on beta-PdBi2 monolayer, resulting in a rather small onset potential of -0.26 V vs. RHE for CO2 electroreduction to HCOOH. These results not only suggest a promising candidate for CO2 electrolysis but also deepen our understanding of the factors dominating the catalytic activity of 2D materials.

History

Email Address of Submitting Author

thomas.heine@tu-dresden.de

Institution

TU Dresden

Country

Deutschland

ORCID For Submitting Author

0000-0003-2379-6251

Declaration of Conflict of Interest

none

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