β-PdBi2 monolayer: two-dimensional topological metal with superior catalytic activity for carbon dioxide electroreduction to formic acid

X. Zhu, Y. Wang, Y. Jing, T. Heine, Y. Li

Research output: Contribution to journalArticle

Abstract

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) β-PdBi2 monolayer is a promising solution for this issue. β-PdBi2 monolayer is a stable 2D crystal, and the three-dimensional bulk interlayer energy is similar as for other layered materials that can be exfoliated into 2D crystals. Interestingly, β-PdBi2 monolayer has rather intriguing 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 effect significantly enhance the adsorption of OCHO∗ intermediate on β-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.

Original languageEnglish
Article number100091
JournalMaterials Today Advances
Volume8
DOIs
Publication statusPublished - 2020 Dec

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Mechanical Engineering

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