Journal
MATERIALS RESEARCH LETTERS
Volume 7, Issue 12, Pages 510-516Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/21663831.2019.1672822
Keywords
MAX phase; replacement reaction; copper; density-functional theory
Categories
Funding
- National Natural Science Foundation of China [21671195, 51902319, 91426304]
- Chinese Academy of Sciences [2019VEB0008, 174433KYSB20190019]
- Swedish Government Strategic Research Area [2009 00971]
- Knut and Alice Wallenberg Foundation [KAW 2015.0043]
- Swedish Foundation for Strategic Research [EM16-0004, RIF 14-0074]
- Swedish Foundation for Strategic Research (SSF) [EM16-0004] Funding Source: Swedish Foundation for Strategic Research (SSF)
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New MAX phases Ti-2(AlxCu1-x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to the formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti-2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts. [GRAPHICS] IMPACT STATEMENT The preparation of MAX phases Nb2CuC and Ti-2(Al0.1Cu0.9)N were realized by A-site replacement in Ti2AlN and Nb2AlN, respectively.
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