SERS Chemical Enhancement Mechanism of Phenthoate on Gold Nanoparticles Revealed by DFT and TD-DFT
surface through the S atom, forming a stable complex. Meanwhile, this charge transfer mechanism effectively modulated the polarization rate of the molecule. This study provides a theoretical basis for elucidating the adsorption behavior and spectral response mechanism of organophosphorus pesticides on metal nanostructures, offering valuable insights for the design of highly sensitive SERS sensors.
Authors
- Xun Gao (ORCID: https://orcid.org/0000-0002-2989-0292)
- Jingquan Lin (ORCID: https://orcid.org/0000-0002-6602-3489)
- Haotong Yang
- Zhuang Bo
- Chao Song
- Qi Wang
Institutions
- Changchun University of Science and Technology (CN)
Publication Details
- Journal
- Langmuir
- Published
- 2026-04-22
- DOI
- https://doi.org/10.1021/acs.langmuir.6c00262
- Primary Topic
- Gold and Silver Nanoparticles Synthesis and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Natural Science Foundation of Jilin Province
- National Natural Science Foundation of China