Journal of Inorganic Materials, Volume. 35, Issue 1, 35(2020)
Phase diagrams are used as an indicator to estimate the thermodynamic stabilities of the novel MAX phases (Ti3AuC2, Ti3IrC2, Ti3ZnC2, Ti2ZnC). The phase diagrams of the Ti-Au-C, Ti-Ir-C, and Ti-Zn-C systems were obtained using the CALPHAD (Calculation of Phase Diagrams) approach coupled with ab initio calculations. The calculated results confirmed thermodynamic stabilities of the synthesized Ti3AuC2, Ti3IrC2, Ti3ZnC2, and Ti2ZnC MAX phases, which is in great agreement with the experiment information. The present work shows a systematic method to calculate the thermodynamic stability of the novel MAX phases, which can be used as guidance to synthesize more undiscovered MAX phases.
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Lei-Lei CHEN, Zi-Xuan DENG, Mian LI, Peng LI, Ke-Ke CHANG, Feng HUANG, Shi-Yu DU, Qing HUANG.
Category: RESEARCH PAPER
Received: Apr. 29, 2019
Accepted: --
Published Online: Feb. 24, 2021
The Author Email: CHANG Ke-Ke (changkeke@nimte.ac.cn)