Ultra-small gold particles via Citrus × sinensis: Theoretical and experimental SERS study

L. F. López-Vázquez, L. P. Ramírez-Rodríguez, A. Pérez-Rodríguez, R. Britto Hurtado, J. L. Cabellos, R. A. Vargas-Ortiz, A. Navarro-Badilla, Manuel A. Roldan, M. Cortez-Valadez*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


In this study, we have addressed the green synthesis of sub-nanostructured gold species using Citrus × sinensis. Absorption bands in the ultraviolet region (338 nm) were observed. Analysis by atomic resolution microscopy revealed the identification of sub-nanostructured Au species with particle sizes of about 0.9 nm. With favorable results, these systems were tested as substrates for surface-enhanced Raman spectroscopy (SERS) using pyridine. The chemical enhancement mechanism was studied as the source of the SERS effect. Complementarily, the interaction between gold clusters (Au2n, with n = 1–5) and pyridine was modeled using Density Functional at the Becke-3-parameter-Lee-Yang-Parr level of approximation in combination with the LANL2DZ basis set. A correlation between the adsorption energy and the SERS enhancement factor was analyzed as a function of the Au-N interaction distance.

Original languageEnglish
Article number116617
JournalMaterials Science and Engineering B: Solid-State Materials for Advanced Technology
StatePublished - Sep 2023

Bibliographical note

Publisher Copyright:
© 2023 Elsevier B.V.


  • Charge transfer
  • Chemical enhancement mechanism
  • Surface enhancement Raman spectroscopy effect
  • Ultra-small gold species


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