Absorption versus adsorption: high-throughput computation of impurities in 2D materials
Abstract Doping of a two-dimensional (2D) material by impurity atoms occurs via two distinct mechanisms: absorption of the dopants by the 2D crystal or adsorption on its surface. To distinguish the relevant mechanism, we systematically dope 53 experimentally synthesized 2D monolayers by 65 different...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-04-01
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| Series: | npj 2D Materials and Applications |
| Online Access: | https://doi.org/10.1038/s41699-023-00380-6 |