Molecule Liftoff from Surfaces

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The research program entitled "Molecule Liftoff from Surfaces" will be performed by Dr. Barbara Garrison of Pennsylvania State University and is supported by the Analytical and Surface Chemistry program. This computational research program will focus on modeling the behavior of solid organic surfaces under impact by fast particles or during laser ablation. These basic calculations will provide a fundamental framework which will lead to a better understanding of analytical techniques such as Secondary Ion Mass Spectrometry (SIMS) and Matrix Assisted Laser Desorption Ionization Mass Spectrometry (MALDI). The calculations are based on experimental data provided by collaborators which is a significant component of this project. The goals of the project include developing simulations to better understand the desorption of large organic molecules from surfaces, the enhanced desorption efficiency when using polyatomic projectiles, and the experimentally observed differences between UV-MALDI and IR-MALDI.The analytical techniques of SIMS and MALDI have applications in biochemistry, surface chemistry, polymer chemistry and many others. They are widely used techniques in the pharmaceutical industry, electronics industry, and chemical industry. The fundamental research to be performed in this project will lead to improved interpretation of the data obtained and more effective use of these techniques in problem solving applications.