ArticleNature communications2024
Theoretical insights on potential-dependent oxidation behaviors and antioxidant strategies of MXenes.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- VAdvanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Bridging Mechanisms and Strategies: MXene-Based Electrocatalysts for the Oxygen Evolution Reaction.Nanomaterials (Basel, Switzerland) · 2026Review
- Unveiling Photo-Thermal-Electrical Performance in Robust, Self-Healing, and Anti-Freezing Cellulose-MXene Eutectogels for Advanced Hemostasis.Nano-micro letters · 2026Article
- Tuned interfacial hydrogen bonds for enhanced HCommunications chemistry · 2026Article
- Vertical Graphene Nanowalls Anchored on TiACS applied materials & interfaces · 2026Article
- MXene-Based Piezoelectric and Triboelectric Energy Harvesters for Personalized Monitoring and Therapeutics.Small (Weinheim an der Bergstrasse, Germany) · 2026Review
- Interlayer-confined redox in Ti₃C₂Tₓ-MXene laminates: a reagent-free screen-printed platform for the detection of erdafitinib.Mikrochimica acta · 2026Article
- MXenes Surface Termination under Photoexcitation: Insights from Excited-State Pourbaix Diagrams.ACS applied materials & interfaces · 2026Article
- Mechanisms of Direct Electron Transfer Governed by Redox-Active Conductive Carrier with Superior Wettability in Anaerobic Biofilms.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Development of Long-Term Stable MXene-Based Gas Sensing Material.Molecules (Basel, Switzerland) · 2025Review
- Electrocatalytic COACS omega · 2025Article
- Dynamic Single-Atom Catalysts on Gallium To Overcome the Scaling Relationship Limit: AIMD Screening for COJACS Au · 2025Article
- Stability of Single-Atom Centers of MXenes under Anodic Polarization Conditions.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
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Authors and funding
10 authors.
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Abstract
Significant efforts have been devoted to investigating the oxidation of MXenes in various environments. However, the underlying mechanism of MXene oxidation and its dependence on the electrode potential remain poorly understood. Here we show the oxidation behavior of MXenes under the working conditions of electrochemical processes in terms of kinetics and thermodynamics by using constant-potential ab initio simulations. The theoretical results indicate that the potential effects can be attributed to the nucleophilic attack of water molecules on metal atoms, similar to that taking place in the Oxygen Evolution Reaction. Building upon these findings, we deduced the oxidation potential of the common MXenes, and proposed antioxidant strategies for MXene. Finally, we demonstrated that MBenes, the boron analogs of MXenes, may undergo a similar nucleophilic attack in water and inferred that molecule-induced Walden inversion is widely present in material reconstructions. This work contributes to a fundamental understanding MXene stability at the atomic level, and promotes the transition in materials discovery from trial-and-error synthesis to rational design.
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