Global thermodynamic stability of the reconstructed branch

Establish whether the pressure-stabilized collapsed N-derived Ti₃C₂ structure is globally thermodynamically stable when alternative structures and decomposition products are included.

Background

The pressure-dependent comparison shows that the collapsed N-derived branch becomes lower in enthalpy than the parent near 85 GPa, but the comparison is restricted to two fixed-stoichiometry structural families. Other possible Ti₃C₂ structures and decomposition pathways were not evaluated, so the global thermodynamic status of the reconstructed phase remains unresolved.

References

This crossover applies only to the two compared structural families at fixed stoichiometry. It does not establish global thermodynamic stability because alternative structures and decomposition products were not considered.

— Bond-Switching Reconstruction in Bare Ti3C2 MXene  (2610.11062 - Lin, 8 Oct 2026) in Section “Pressure-induced collapse and enthalpy crossover”