An Investigation on Substitution of Ag Atoms for Al or Ti Atoms in the Ti<sub>2</sub>AlC MAX Phase Ceramic Based on First-Principles Calculations

An Investigation on Substitution of Ag Atoms for Al or Ti Atoms in the Ti<sub>2</sub>AlC MAX Phase Ceramic Based on First-Principles Calculations

The present work introduced first-principles calculation to explore the substitution behavior of Ag atoms for Al or Ti atoms in the Ti<sub>2</sub>AlC MAX phase ceramic. The effect of Ag substitution on supercell parameter, bonding characteristic, and stability of the Ti<sub>2</s...

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Bibliographic Details
Main Authors: Guochao Wang, Jiahe Zhou, Weijian Chen, Jianguo Yang, Jie Zhang, Yanming He
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Materials
Subjects:
Ti<sub>2</sub>AlC MAX phase ceramic
first-principles calculation
substitution behavior
bonding characteristic
stability
Online Access:https://www.mdpi.com/1996-1944/14/22/7068

Internet

https://www.mdpi.com/1996-1944/14/22/7068

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