ArticleNanomaterials (Basel, Switzerland)2026
Rethinking Catalysis in Three-Dimensional Topological Materials Through Surface Oxidation.
Article in Nanomaterials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The catalytic activity of topological materials is often attributed to the nontrivial electronic states of pristine surfaces. However, this interpretation does not explain why chemically and structurally distinct topological compounds frequently exhibit similar catalytic performance despite substantial differences in their band topology. A key limitation of this view is the neglect of surface reconstruction, particularly oxidation under ambient conditions, which can significantly modify both the electronic structure and the nature of active catalytic sites. Here, density functional theory calculations were performed to investigate the energetics of surface oxidation and the hydrogen evolution reaction in representative three-dimensional topological materials, including VAl
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