Surface-enhanced Raman Spectroscopy and Density Functional Theory Study of Glyphosate and Aminomethylphosphonic acid Using Silver Capped Silicon Nanopillars

نویسندگان

چکیده

Glyphosate (GP) is a broad-spectrum systemic herbicide which used for killing wide variety of harmful plants. Several recent studies indicate possible adverse health effects on humans. This work focused detection and adsorption GP its metabolite aminomethylphosphonic acid (AMPA) silver-capped silicon nanopillars using surface-enhanced Raman spectroscopy (SERS). Density Functional Theory with the B3LYP functional was employed geometry optimization ground state geometries simulation SERS spectra AMPA. The theoretically calculated experimentally observed vibrations AMPA free attached to Ag surface exhibited different revealing chemical interactions between analysed molecules metal surface. DFT confirmed that main Ag-GP interaction oxygen from carboxylic phosphate groups, andfor via strong nitrogen NH In order study binding behavior, isotherm analysis (AgNPs) were performed. Finally, obtained isotherms followed negative cooperative mechanism.

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ژورنال

عنوان ژورنال: Universitas scientiarum

سال: 2021

ISSN: ['2027-1352', '0122-7483']

DOI: https://doi.org/10.11144/javeriana.sc26-1.srsa