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. 2019 Oct 10;10:4610. doi: 10.1038/s41467-019-12584-w

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© The Author(s) 2019

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. 1 — ssDNA dynamics on 2D materials: graphene, h-BN, and their in-plane heterostructure. a An illustration on how ssDNA can be spontaneously stretched on an in-plane graphene/h-BN/graphene heterostructure. b An enlarged view of an ssDNA fragment near the graphene/h-BN boundary, with atomic details. Carbon atoms in graphene are colored in gray while boron and nitrogen atoms in h-BN are colored in pink and blue, respectively. c–e Simulation systems of ssDNA on the graphene/h-BN heterostructure, graphene, and h-BN, respectively. A 20-base-long ssDNA is colored according to base types: A (blue), T (purple), C (orange), and G (green). Water is not shown; K⁺ (tan) and Cl⁻ (cyan) ions are shown as van der Waals spheres. 2D materials are in the stick representation. f Number of atoms in the graphene/h-BN heterostructure that are within 3.5 Å of ssDNA, during simulations. g van der Waals interaction energies (per nucleotide) between ssDNA and different 2D materials. Results from Sim-2 were shifted by 150 ns for clarity. h Heights of ssDNA (centers of mass) above different 2D materials