کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1403167 1501779 2013 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
4-Mercaptopyridine adsorbed on pure palladium island films: A combined SERS and DFT investigation
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
4-Mercaptopyridine adsorbed on pure palladium island films: A combined SERS and DFT investigation
چکیده انگلیسی

Surface-enhanced Raman scattering (SERS) can provide vibrational information with molecular specificity and potential single-molecule sensitivity. SERS studies on pure transition metals, however, remain challenging due to the weak SERS activity of transition metals compared to coinage metals. Here we fabricated alumina-supported Pd island films by depositing laser-ablated Pd colloids onto an Al substrate. Robust SERS signal employing 4-mercaptopyridine (4-Mpy) as a probe was registered from the as-prepared films. The adsorption information of 4-Mpy molecules such as orientation and coordinating site was discussed in detail based on SERS data. It was inferred that 4-Mpy adsorbs via its sulfur atom to Pd surface with a tilted binding configuration. The Raman wavenumber and intensity of an adsorption model including one 4-Mpy and Pd atom were computed using density functional theory (DFT) at the Beck’s three-parameter Lee–Yang–Parr (B3LYP) level with the LANL2DZ basis set. The simulated Raman spectrum was in good agreement with the experimental one except for the relative intensity. The current investigation could be helpful to gain a comprehensive understanding of SERS.


► We developed a simply method to produce highly SERS-active palladium island films with an enhancement factor of 104.
► Adsorption of 4-mercaptopyridine on palladium island films was analyzed in detail.
► DFT calculations of Raman spectrum were carried out and compared to the experimental results.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1035, 13 March 2013, Pages 231–235
نویسندگان
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