Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+)

Lei Chen; Zhigang Wang; Zhengqiang Li; Rui-Qin Zhang

doi:10.1007/s11664-016-4993-4

Author(s)

Lei Chen
Zhigang Wang
Zhengqiang Li
Rui-Qin Zhang

Detail(s)

Original language	English
Pages (from-to)	3904-3909
Journal / Publication	Journal of Electronic Materials
Volume	46
Issue number	7
Publication status	Published - Jul 2017

Link(s)

DOI	DOI https://doi.org/10.1007/s11664-016-4993-4 Final Published version
	Check@CityULib
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84991045129&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(5a667b03-35bf-43a4-a089-4c7c92918de9).html

Abstract

Using density functional theory, this work presents a comprehensive analysis of nonresonant surface-enhanced Raman scattering enhancement of pyridine on M@Ag₁₂ (M = V⁻, Nb⁻, Ta⁻, Cr, Mo, W, Mn⁺, Tc⁺, Re⁺). Computational results indicate that the chemical enhancement of pyridine on M@Ag₁₂ is closely associated with the charge properties of silver-caged clusters. Pyridine on negative clusters exhibits the strongest chemical enhancement with a factor of about 10³, while the chemical enhancement is only about 10² for pyridine on neutral clusters and 10 for pyridine on positive clusters. The polarizability analyses elucidate the nature of the chemical enhancement that delocalized electrons of negative adsorption systems occupy higher molecular orbitals than those of neutral and positive adsorption systems, which can lead to stronger nonresonant chemical enhancement.

Research Area(s)

Silver-caged clusters, nanoalloys, SERS, DFT, ENHANCED RAMAN-SCATTERING, EFFECTIVE CORE POTENTIALS, MOLECULAR CALCULATIONS, DIATOMIC CLUSTERS, MECHANISM, NANOPARTICLES, SPECTRA, AG, TUNABILITY, ELECTRODE

Citation Format(s)

[ RIS ] [ BibTeX ]

Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). / Chen, Lei; Wang, Zhigang; Li, Zhengqiang et al.
In: Journal of Electronic Materials, Vol. 46, No. 7, 07.2017, p. 3904-3909.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Chen, L, Wang, Z, Li, Z & Zhang, R-Q 2017, 'Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+)', Journal of Electronic Materials, vol. 46, no. 7, pp. 3904-3909. https://doi.org/10.1007/s11664-016-4993-4

Chen, L., Wang, Z., Li, Z., & Zhang, R.-Q. (2017). Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). Journal of Electronic Materials, 46(7), 3904-3909. https://doi.org/10.1007/s11664-016-4993-4

Chen L, Wang Z, Li Z, Zhang RQ. Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). Journal of Electronic Materials. 2017 Jul;46(7):3904-3909. doi: 10.1007/s11664-016-4993-4

Chen, Lei ; Wang, Zhigang ; Li, Zhengqiang et al. / Chemical Coupling SERS Properties of Pyridine on Silver-Caged Metal Clusters M@Ag-12 (M = V-, Nb-, Ta-, Cr, Mo, W, Mn+, Tc+, Re+). In: Journal of Electronic Materials. 2017 ; Vol. 46, No. 7. pp. 3904-3909.