Pyridine-Ag20 cluster: a model system for studying surface-enhanced Raman scattering

Journal of the American Chemical Society
Linlin ZhaoGeorge C Schatz

Abstract

This work presents a detailed analysis of enhanced Raman scattering of the pyridine-Ag(20) model system using time-dependent density functional theory. A consistent treatment of both the chemical and electromagnetic enhancements (EM) is achieved by employing a recently developed approach based on a short-time approximation for the Raman cross section. A strong dependence of the absolute and relative intensities on the binding site and excitation wavelength is found. The analysis of the Raman scattering cross sections shows the importance of different contributions to the enhancements, including static chemical enhancements (factor of 10), charge-transfer enhancements (10(3)), and EM enhancements (10(5)). The largest enhancement found (10(5)-10(6)) is due to the EM mechanism, with a small contribution from the chemical interaction. This suggests that the enhanced Raman scattering due to atomic clusters is comparable to findings on single nanoparticles. A combination of information about the vibrational motion and the local chemical environment provides a simple picture of why certain normal modes are enhanced more than others.

References

Sep 15, 1988·Physical Review A: General Physics·A D Becke
May 2, 2002·Journal of Computational Chemistry·Johannes NeugebauerBernd A Hess
Feb 8, 2003·Science·Peter S ZuevWeston Thatcher Borden
Mar 24, 2005·Physical Review Letters·Lynn Peyser-CapadonaRobert M Dickson
Jun 25, 2005·The Journal of Chemical Physics·L JensenG C Schatz
Jul 21, 2006·The Journal of Physical Chemistry. B·Adam D McFarlandRichard P Van Duyne
Feb 7, 2005·Physical Chemistry Chemical Physics : PCCP·Patrik Johansson

❮ Previous
Next ❯

Citations

Nov 30, 2013·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Xin ZhangYan Fang
Feb 25, 2011·Chemical Reviews·Seth M MortonLasse Jensen
Apr 30, 2008·Chemical Society Reviews·Lasse JensenGeorge C Schatz
Apr 30, 2008·Chemical Society Reviews·De-Yin WuZhong-Qun Tian
Sep 22, 2011·Chemical Communications : Chem Comm·Sai DuanZhong-Qun Tian
Aug 17, 2010·The Journal of Chemical Physics·Nicholas ValleyGeorge C Schatz
Jun 16, 2012·The Journal of Chemical Physics·John L PaytonLasse Jensen
Aug 7, 2009·The Journal of Chemical Physics·Kasper KristensenPoul Jørgensen
Nov 9, 2010·The Journal of Chemical Physics·Arseny Kovyrshin, Johannes Neugebauer
Jun 15, 2011·The Journal of Chemical Physics·Kasper KristensenAntonio Rizzo
Feb 16, 2010·The Journal of Chemical Physics·David J Masiello, George C Schatz
Jan 21, 2012·The Journal of Chemical Physics·Mark A WatsonAlán Aspuru-Guzik
Jul 7, 2007·The Journal of Chemical Physics·John R Lombardi, Ronald L Birke
Apr 14, 2007·The Journal of Chemical Physics·Petr Bour
Dec 3, 2008·The Journal of Chemical Physics·Karin KiewischMarkus Reiher
Jun 25, 2009·The Journal of Chemical Physics·Zhilin YangMengtao Sun
Nov 12, 2013·The Journal of Chemical Physics·Patrick Z El-KhouryWayne P Hess
Apr 18, 2007·Proceedings of the National Academy of Sciences of the United States of America·George C Schatz
Nov 18, 2015·Journal of Chemical Theory and Computation·Zu-Yong GongYi Luo
Aug 2, 2015·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Tingting YouShihe Yang
Apr 20, 2016·Annual Review of Physical Chemistry·Dhabih V ChulhaiLasse Jensen
Oct 4, 2006·The Journal of Chemical Physics·Benjamin G Janesko, Gustavo E Scuseria
Nov 15, 2006·The Journal of Chemical Physics·Jorge M Seminario, Lina R Saenz
Jan 25, 2017·The Journal of Physical Chemistry. a·Sean A FischerPatrick Z El-Khoury
Mar 9, 2017·Chemical Reviews·Jian-Feng LiZhong-Qun Tian
Mar 25, 2016·Scientific Reports·Lindsay M FreemanYeshaiahu Fainman
Apr 27, 2017·Faraday Discussions·Rebecca L GiesekingGeorge C Schatz
Mar 4, 2009·Journal of the American Chemical Society·Seth M Morton, Lasse Jensen
Dec 5, 2014·The Journal of Physical Chemistry. a·Dhabih V Chulhai, Lasse Jensen

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.