Semi-empirical infrared spectra simulation of pyrene-like molecules insight for simple analysis of functionalization graphene quantum dots
Abstract The Infrared (IR) spectra usually assume the samples are 3D materials. Thus, it is difficult to identify functional groups in 2D materials at the edge and the center of the 2D surface. Therefore, it is crucial to introduce analysis methods that enable the investigation of 2D carbon material...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-29486-z |