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New MAX phases Ti2(AlxCu1-x)N and Nb2CuC were synthesized by A-sitereplacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuImolten salt. X-ray diffraction, scanning electron microscopy, andatomically-resolved scanning transmission electron microscopy showed completeA-site replacement in Nb2AlC, which lead to formation of Nb2CuC. However, thereplacement of Al in Ti2AlN phase was only close to complete atTi2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated thestructural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculatedcleavage energy in these Cu-containing MAX phases are weaker than in theirAl-containing counterparts, indicating that they are precursor candidates forMXene derivation.

Synthesis of MAX Phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site Replacement Reaction in Molten Salts