fig5

Figure 5. The interaction between Mg atom and the Mg/Mg₃Bi₂ phase surface. (A) Adsorption configurations and the corresponding adsorption energies of a Mg atom on the surfaces of Mg (101) and Mg₃Bi₂ (011); (B-C) The calculated Mg migration energy barriers in Mg₃Bi₂ (011) and Mg (101), respectively. Here, the orange and purple balls represent the Mg and Bi elements, respectively.