📄 chemistry
Adsorption Performance and Sensing ability of Heteroatom-Functionalized Si-doped Single-Walled Carbon Nanotubes: A Computational Study of Caffeine adsorption
This computational study utilizing density functional theory demonstrates that heteroatom-functionalized silicon-doped single-walled carbon nanotubes, particularly the CFN-SiS@CNT system, exhibit superior adsorption energy and electronic response for caffeine sensing compared to pristine or other modified surfaces.
Original paper licensed under CC BY 4.0 (https://creativecommons.org/licenses/by/4.0/). This is an AI-generated explanation of the paper below. It is not written or endorsed by the authors. For technical accuracy, refer to the original paper. Read full disclaimer
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