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. 2022 Jun 2;7(23):19794–19803. doi: 10.1021/acsomega.2c01562

Figure 2.

Figure 2

Predicated C3N3Cu monolayer and corresponding properties. (a) Structural configuration, (b) phonon dispersion curves, (c) AIMD simulations at 300 K with energy and temperature variations with respect to the simulation time as well as the snapshot of the last step of AIMD simulation, and (d) band structure and PDOS.