ArticleiScience2022
Theoretical realization of hybrid Weyl state and associated high catalytic performance for hydrogen evolution in NiSi.
Article in iScience, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed.
- Hydrogen evolution electrocatalysts in high-fold degenerate topological semimetals with chiral structures.Communications chemistry · 2026Article
- 2D Topological Electrocatalysts with Spin-Orbit Coupling: Interplay between the "Electrochemical" and "Topological" Surface States.The journal of physical chemistry letters · 2025Article
- Topological Luttinger-semimetal CoAsNature communications · 2025Article
- Design of A series of high-performance topology catalyst APtiScience · 2025Article
- Active Sites-Enriched Hierarchical Weyl Semimetal WTeAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Unlocking Quantum Catalysis in Topological Trivial Materials: A Case Study of Janus Monolayer MoSMg.Small science · 2024Article
- Multifold Fermions and Fermi Arcs Boosted Catalysis in Nanoporous Electride 12CaO·7AlAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
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6 authors.
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Abstract
For electrochemical hydrogen evolution reaction (HER), developing high-performance catalysts without containing precious metals have been a major research focus in the present. Herein, we show the feasibility of HER catalytic enhancement in Ni-based materials based on topological engineering from hybrid Weyl states. Via a high-throughput computational screening from ∼140,000 materials, we identify that a chiral compound NiSi is a hybrid Weyl semimetal (WSM) showing bulk type-I and type-II Weyl nodes and long surface Fermi arcs near the Fermi level. Sufficient evidences verify that topological charge carriers participate in the HER process, and make the certain surface of NiSi highly active with the Gibbs free energy nearly zero (0.07 eV), which is even lower than Pt and locates on the top of the volcano plots. This work opens up a new routine to develop no-precious-metal-containing HER catalysts via topological engineering, rather than traditional defect engineering, doping engineering, or strain engineering.
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