fig2
Figure 2. (A) The formation energy of different transition metals embedded in MoS2; The energy fluctuations of (B) MoS2-MnCr, (C) MoS2-FeMn, (D) MoS2-CrCo , and (E) MoS2-NiCr in AIMD simulations for 5 ps under 300 K with a time step of 1 fs. AIMD: Ab initio molecular dynamics; fs: femtosecond.
