Maximizing Information Obtained From Secondary Ion Mass Spectra of Organic Thin Films Using Multivariate Analysis.

Published

July 1, 2004

Author(s)

M S. Wagner, D G. Graham, B D. Ratner, David G. Castner

Abstract

Time -of Flight Secondary Ion Mass Spectrometry (ToF-SIMS) can give detailed description of the surface chemistry and structure of organic materials. The high resolution and high mass range mass spectra obtainable from modern ToF-SIMS instruments presents the ability to rapidly obtain large amounts of data. Distillation of that data into usable information presents a significant problem in the analysis of ToF-SIMS data from organic materials. Multivariate data analysis techniques have become increasingly common for assisting with the interpretation of complex ToF-SIMS data sets. This study presents an overview of Principal Component Analysis (PCA) and Partial Least Squares Regression (KPLSR) for analyzing the ToF-SIMS spectra of alkanethiol SAMs adsorbed into gold substrates and polymer molecular depth profiles obtained using an SF_5u+ primary ion beam. The effect of data normalization and scaling on the information obtained from these data sets has been explored. Multivariate analysis is an important and necessary tool for maximizing the information obtained from the ToF-SIMS spectra of organic thin films.

Citation

Surface Science

Volume

570

Pub Type

Journals

Keywords

multivariate analysis, PCA, PLSR, polymer depth profiling, sel-assembled monolayer, ToF-SIMS

Citation

Wagner, M. , Graham, D. , Ratner, B. and Castner, D. (2004), Maximizing Information Obtained From Secondary Ion Mass Spectra of Organic Thin Films Using Multivariate Analysis., Surface Science (Accessed October 28, 2025)