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Synthesis of MAX phases Nb2CuC and Ti2(Al0.1Cu0.9)N by A-site replacement reaction in molten salts
Materials Research Letters ( IF 8.6 ) Pub Date : 2019-10-01 , DOI: 10.1080/21663831.2019.1672822
Haoming Ding 1, 2 , Youbing Li 2, 3 , Jun Lu 4 , Kan Luo 2 , Ke Chen 2 , Mian Li 2 , Per O. Å. Persson 4 , Lars Hultman 4 , Per Eklund 4 , Shiyu Du 2 , Zhengren Huang 2 , Zhifang Chai 2 , Hongjie Wang 1 , Ping Huang 1 , Qing Huang 2
Affiliation  

New MAX phases Ti2(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 Ti2(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.



中文翻译:

熔融盐中A位置换反应合成MAX相Nb 2 CuC和Ti 2(Al 0.1 Cu 0.9)N

通过分别通过使Ti 2 AlN和Nb 2 AlC与CuCl 2或CuI熔融盐反应进行A位置换来合成新的MAX相Ti 2(Al x Cu 1- x)N和Nb 2 CuC 。X射线衍射,扫描电子显微镜和原子分辨扫描透射电子显微镜显示Nb 2 AlC中的A位完全取代,这导致Nb 2 CuC的形成。但是,Ti 2 AlN相中的Al置换仅在Ti 2处接近完成(Al 0.1 Cu 0.9N. 密度泛函理论计算证实了Nb 2 CuC和Ti 2 CuN相的结构稳定性。而且,在这些含Cu的MAX相中计算出的裂解能比在其含Al的相中弱。

更新日期:2019-10-01
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