Ms. Linlin Zhao Profile

Linlin Zhao

at Northwestern Univ

SPIE Involvement:

Author

Publications (1)

This will count as one of your downloads.

You will have access to both the presentation and article (if available).

DOWNLOAD NOW

This content is available for download via your institution's subscription. To access this item, please sign in to your personal account.

Email or Username Forgot your username?

Password Forgot your password?

Show

Keep me signed in

No SPIE account? Create an account

Proceedings Article | 19 October 2004 Paper

Electronic structure studies of surface-enhanced Raman scattering

Linlin Zhao, George Schatz

Proceedings Volume 5512, (2004) https://doi.org/10.1117/12.561878

KEYWORDS: Copper, Molecules, Surface enhanced Raman spectroscopy, Raman spectroscopy, Metals, Polarizability, Raman scattering, Resonance enhancement, Complex systems, Molecular interactions

Read Abstract +

The 'chemical mechanism' of surface enhanced Raman scattering (SERS) is investigated by quantum mechanical methods for pyridine adsorbed onto a copper cluster. Gaussian orbital based density functional theory with a B3LYP exchange-correlation functional is used to calculate the ground state structure and normal coordinates of the molecule-surface complex system, and the sum-over-states method, which uses excited state energies and dipole matrix elements from CIS (singles CI) calculations and the INDO/S semi-empirical method, is used to calculate the zero and non-zero frequency dependent polarizability derivatives that determine the Raman intensities. The cluster in these calculations is a copper tetramer whose excited state widths have been broadened to mimic interaction with bulk metal. The present method succeeds in describing the Raman spectrum of the adsorbed pyridine molecule, including changes in the spectrum that arise from adsorption on the surface, and differences between the zero frequency and finite frequency spectra. However the model is still quite primitive in its evaluation of the SERS enhancement factor.

My Library

You currently do not have any folders to save your paper to! Create a new folder below.

Folder Name

Folder Description

View contact details

UPDATE YOUR PROFILE

Is this your profile? Update it now.

Sign into your SPIE.org account

Don’t have a profile and want one?

Create an account on SPIE.org

Access to the requested content is limited to institutions that have purchased or subscribe to SPIE eBooks. You are receiving this notice because your organization may not have SPIE eBooks access.*

*Shibboleth/Open Athens users─please sign in to access your institution's subscriptions.

To obtain this item, you may purchase the complete book in print or electronic format on SPIE.org.

ORGANIZATIONAL
Sign in with credentials provided by your organization.

Organizational Username

Organizational Password

Show/Hide Password

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available

Members:

Non-members: ADD TO CART

Keywords/Phrases

Search In:

Publication Years