materialscloud:2026.46
Published February 26, 2026 | Version v1
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Long-range van der Waals forces between graphene and copperene: first principles calculations

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  • 1. ROR icon Kemerovo State University

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Description

Van der Waals (vdW) interactions play a crucial role in the formation of various systems. Two-dimensional (2D) metals have attracted considerable attention due to their unique properties, particularly in applications where vdW interactions play a significant role.  In particular, a graphene template facilitates the self-assembly of 2D metal nanosheets. A study of vdW interactions between copperene and graphene has been carried out. The behavior of the binding energy of copperene/graphene is studied within the framework of DFT-D3.
Collection of data, input and output files. Calculations were performed using Quantum ESPRESSO.

 

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References

Journal reference (Submitted)
I.A. Fedorov, Van der Waals interactions between graphene and copperene from equilibrium to long-range distances: A first-principles study, Comput. Mater. Sci. 271 (2026) 114833. https://doi.org/10.1016/j.commatsci.2026.114833.