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In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides
Developing strategies for atomic-scale controlled synthesis of new two-dimensional (2D) functional materials will directly impact their applications. Here, using in situ aberration-corrected scanning transmission electron microscopy, we obtain direct insight into the homoepitaxial Frank–van der Merw...
Autores principales: | , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5995835/ https://www.ncbi.nlm.nih.gov/pubmed/29891836 http://dx.doi.org/10.1038/s41467-018-04610-0 |
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author | Sang, Xiahan Xie, Yu Yilmaz, Dundar E. Lotfi, Roghayyeh Alhabeb, Mohamed Ostadhossein, Alireza Anasori, Babak Sun, Weiwei Li, Xufan Xiao, Kai Kent, Paul R. C. van Duin, Adri C. T. Gogotsi, Yury Unocic, Raymond R. |
author_facet | Sang, Xiahan Xie, Yu Yilmaz, Dundar E. Lotfi, Roghayyeh Alhabeb, Mohamed Ostadhossein, Alireza Anasori, Babak Sun, Weiwei Li, Xufan Xiao, Kai Kent, Paul R. C. van Duin, Adri C. T. Gogotsi, Yury Unocic, Raymond R. |
author_sort | Sang, Xiahan |
collection | PubMed |
description | Developing strategies for atomic-scale controlled synthesis of new two-dimensional (2D) functional materials will directly impact their applications. Here, using in situ aberration-corrected scanning transmission electron microscopy, we obtain direct insight into the homoepitaxial Frank–van der Merwe atomic layer growth mechanism of TiC single adlayers synthesized on surfaces of Ti(3)C(2) MXene substrates with the substrate being the source material. Activated by thermal exposure and electron-beam irradiation, hexagonal TiC single adlayers form on defunctionalized surfaces of Ti(3)C(2) MXene at temperatures above 500 °C, generating new 2D materials Ti(4)C(3) and Ti(5)C(4). The growth mechanism for a single TiC adlayer and the energies that govern atom migration and diffusion are elucidated by comprehensive density functional theory and force-bias Monte Carlo/molecular dynamics simulations. This work could lead to the development of bottom-up synthesis methods using substrates terminated with similar hexagonal-metal surfaces, for controllable synthesis of larger-scale and higher quality single-layer transition metal carbides. |
format | Online Article Text |
id | pubmed-5995835 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-59958352018-06-13 In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides Sang, Xiahan Xie, Yu Yilmaz, Dundar E. Lotfi, Roghayyeh Alhabeb, Mohamed Ostadhossein, Alireza Anasori, Babak Sun, Weiwei Li, Xufan Xiao, Kai Kent, Paul R. C. van Duin, Adri C. T. Gogotsi, Yury Unocic, Raymond R. Nat Commun Article Developing strategies for atomic-scale controlled synthesis of new two-dimensional (2D) functional materials will directly impact their applications. Here, using in situ aberration-corrected scanning transmission electron microscopy, we obtain direct insight into the homoepitaxial Frank–van der Merwe atomic layer growth mechanism of TiC single adlayers synthesized on surfaces of Ti(3)C(2) MXene substrates with the substrate being the source material. Activated by thermal exposure and electron-beam irradiation, hexagonal TiC single adlayers form on defunctionalized surfaces of Ti(3)C(2) MXene at temperatures above 500 °C, generating new 2D materials Ti(4)C(3) and Ti(5)C(4). The growth mechanism for a single TiC adlayer and the energies that govern atom migration and diffusion are elucidated by comprehensive density functional theory and force-bias Monte Carlo/molecular dynamics simulations. This work could lead to the development of bottom-up synthesis methods using substrates terminated with similar hexagonal-metal surfaces, for controllable synthesis of larger-scale and higher quality single-layer transition metal carbides. Nature Publishing Group UK 2018-06-11 /pmc/articles/PMC5995835/ /pubmed/29891836 http://dx.doi.org/10.1038/s41467-018-04610-0 Text en © The Author(s) 2018 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/. |
spellingShingle | Article Sang, Xiahan Xie, Yu Yilmaz, Dundar E. Lotfi, Roghayyeh Alhabeb, Mohamed Ostadhossein, Alireza Anasori, Babak Sun, Weiwei Li, Xufan Xiao, Kai Kent, Paul R. C. van Duin, Adri C. T. Gogotsi, Yury Unocic, Raymond R. In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title | In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title_full | In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title_fullStr | In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title_full_unstemmed | In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title_short | In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides |
title_sort | in situ atomistic insight into the growth mechanisms of single layer 2d transition metal carbides |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5995835/ https://www.ncbi.nlm.nih.gov/pubmed/29891836 http://dx.doi.org/10.1038/s41467-018-04610-0 |
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