ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2025
Stability of Single-Atom Centers of MXenes under Anodic Polarization Conditions.
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Descriptor-Based Insights into Hydrazine Selectivity in Electrochemical Ammonia Oxidation on Single-Atom Centers of MXenes.ACS physical chemistry Au · 2026Article
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Authors and funding
4 authors.
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Abstract
MXenesfew-layered two-dimensional transition metal carbides and nitridesare a promising class of materials for energy conversion and storage. Only recently, it was predicted that the basal planes of MXenes reconstruct under positive bias under the formation of catalytically active single-atom centers, whose structure is reminiscent of a single-atom catalyst (SAC). In this work, we assess the stability of the SAC-like motif of MXenes under anodic polarization conditions. By combining density functional theory calculations and a Born-Haber cycle, we derive dissolution potentials and Pourbaix diagrams of 19 SAC-like motifs of M
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