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. 2020 Apr 23;10:6897. doi: 10.1038/s41598-020-63743-9

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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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The top and side views of the optimized structures of (a) a MoS₂ monolayer and (b) the top (T) and hollow (H) binding sites of a metal ion adsorbed on the MoS₂ monolayer. The Mo atoms, S atoms and the binding sites are represented with green, yellow and purple circles, respectively. (c) The binding energies and metal cohesive energies of Li, Na, K, Mg, Ca on MoS₂.