Molecule Liftoff from Surfaces

宾夕法尼亚州立大学的芭芭拉·加里森博士将执行这项名为“分子从表面升空”的研究计划，并得到分析和表面化学计划的支持。这项计算研究计划将侧重于模拟固体有机表面在快速粒子撞击或激光烧蚀过程中的行为。这些基本计算将提供一个基本框架，有助于更好地理解分析技术，如二次离子质谱仪(SIMS)和基质辅助激光解吸电离质谱仪(MALDI)。这些计算基于合作者提供的实验数据，这是该项目的一个重要组成部分。该项目的目标包括开发模拟，以更好地了解大分子有机分子从表面解吸，使用多原子弹时解吸效率的提高，以及通过实验观察到的UV-MALDI和IR-MALDI之间的差异。SIMS和MALDI的分析技术在生物化学、表面化学、聚合物化学和许多其他方面都有应用。它们是制药工业、电子工业和化学工业中广泛使用的技术。本项目将进行的基础研究将导致对所获得数据的更好解释，并在解决问题的应用中更有效地使用这些技术。

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.