Peer-reviewed veterinary case report
Understanding the Effect of Oxygen on M<sub>5</sub>AX<sub>4</sub> Structure, Stability, and Mechanical Properties.
- Year:
- 2026
- Authors:
- Downes M et al.
- Affiliation:
- Department of Materials Science and Engineering · United States
Abstract
M<sub>5</sub>X<sub>4</sub>, the newest and thickest structures in the MXene family, shows promise as mechanically robust nanomaterials. However, the essential role of oxide in their synthesis is poorly understood, which poses a challenge for discovering new M<sub>5</sub>AX<sub>4</sub> MAX phase precursors. One possibility is that oxygen dissolves into the carbon sublattice, forming stable oxycarbide layers within the MAX phase. Herein, we investigate the layer-by-layer elemental composition of three M<sub>5</sub>AX<sub>4</sub> compositions: Ti<sub>2.5</sub>Ta<sub>2.5</sub>AlC<sub>4</sub>, Ti<sub>2.675</sub>Nb<sub>2.325</sub>AlC<sub>4</sub>, and Mo<sub>4</sub>VAlC<sub>4</sub>. By modeling the structural stability of each composition, we investigate the possible stabilizing role of oxygen. To guide future application of M<sub>5</sub>X<sub>4</sub> MXenes, we also calculate the electronic structure and mechanical properties of the parent M<sub>5</sub>AX<sub>4</sub> MAX phases. This work clarifies the role of oxygen incorporation into MAX phases and its implications for the synthesis and potential applications of their MXene derivatives.
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Search related cases →Original publication: https://europepmc.org/article/MED/41551708