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. 2020 May 15;10:8089. doi: 10.1038/s41598-020-64625-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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The MD model of the crystalline Si(100) substrate. The yellow atoms at the bottom of the model are fixed to simulate a semi-infinite bulk substrate. The red atoms comprise a Berendsen heat bath that is used to control the temperature of the whole model. The green atoms that are fully surrounded by the thermostat atoms can freely interact with incoming carbon atoms.