Effect of Sn doping concentration on the oxidation of Al-containing MAX phase (Ti₃AlC₂) combining simulation with experiment.

ABSTRACT: Sn doping is usually adopted to prepare Ti₃AlC₂ in mass production because it can reduce the synthesis temperature while increasing the phase purity. However, excessive Sn doping usually deteriorates the oxidation resistance of Ti₃AlC₂. Therefore, an appropriate Sn doping concentration is a vital issue. In this work, the effect of Sn doping concentration on the oxidation behavior of Ti₃AlC₂ was systematically investigated by combining theoretical calculations and experimental methods. Density function theory calculations suggest that the oxygen adsorption mechanisms for the (001) surface of Ti₃AlC₂ with and without Sn doping are similar, and Ti-O bonds are always preferentially formed. The molecular dyn

SUBMITTER: Guo C 

PROVIDER: S-EPMC11197679 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature