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. 2020 Apr 3;11:1651. doi: 10.1038/s41467-020-15480-w

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© The Author(s) 2020

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — a Secondary geometry deformations for different values of the interchain distance h₀. Relaxed MBD geometries exhibit more pronounced deformations than those obtained from the PW model. MBD deformations slowly decrease at growing interchain distance, while the PW deformations quickly converge to zero for h ≥ 25 Å. b Carbon wires normalized y displacement in the relaxed geometry for different values of h₀. Relaxed MBD geometries exhibit more significant non-linearities compared with PW. c Frequency spectrum of the collective electron-density oscillation modes, derived from the MBD Hamiltonian (plasmon dispersion) at various interchain distances h₀. Frequency variation between a given interchain distance and h₀ = 10 Å is reported for the lowest and highest energy mode intervals. d Adhesive stress as a function of the interchain/surface distance for three models with different dimensionality. Dimensional effects are clearly captured showing that the most complex 3D separation model (where both structures are allowed to delaminate in all directions) exhibits longer adhesive stress range and larger adhesive strength.