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. 2020 Nov 17;11:5862. doi: 10.1038/s41467-020-19752-3

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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. 3 — Periodic boundary condition model of hBN on the Cu(111) surface a and the calculated binding energies of hBN on the Cu(111) surface as a function of the alignment angle (θ) between the ZZ direction of hBN lattice and a 〈110〉 direction of the Cu(111) surface b. Cluster model of a WS₂ cluster on the hBN surface c and the calculated binding energies of the WS₂ cluster on the hBN surface as a function of the alignment angle (θ) between the ZZ direction of WS₂ and the ZZ direction of the hBN surface d.