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An experimental and theoretical view of energetic C60 cluster bombardment onto molecular solids

机译:能量C60簇轰击对分子固体的实验与理论观

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摘要

Recent experimental measurements and calculations performed by molecular dynamics computer simulations indicate, for highly energetic C60 primary ions bombarding molecular solids, the emission of intact molecules is unique. An energy- and angle-resolved neutral mass spectrometer coupled with laser photoionization techniques was used to measure the polar angle distribution of neutral benzo[a]pyrene molecules desorbed by 20-keV C60+ primary ions and observed to peak at off-normal angles integrated over all possible emission energies. Similarly, computer simulations of 20-keV C60 projectiles bombarding a coarse-grained benzene system resulted in calculations of nearly identical polar angle distributions. Upon resolving the measured and calculated polar angle distributions, sputtered molecules with high kinetic energies are the primary contributors to the off-normal peak. Molecules with low kinetic energies were measured and calculated to desorb broadly peaked about the surface normal. The computer simulations suggest the fast deposition of energy from the C60 impact promotes the molecular emission by fluid-flow and effusive-type motions. The signature of off-normal emission angles is unique for molecules because fragmentation processes remove molecules that would otherwise eject near normal to the surface. Experimental measurements from a Ni {001} single crystal bombarded by 20-keV C60+ demonstrate the absence of this unique signature.
机译:最近通过分子动力学计算机模拟进行的实验测量和计算表明,对于轰击分子固体的高能C60初级离子,完整分子的发射是独特的。能量和角度分辨的中性质谱仪结合激光光电离技术,用于测量20-keV解吸的中性苯并[a] re分子的极性角分布。 C 60 + 初级离子,并观察到在所有可能的发射能量上积分的偏离法线的峰值。类似地,计算机模拟的20keV C60弹丸轰击了粗粮苯系统,得出了几乎相同的极角分布。解决了测量和计算的极角分布后,具有高动能的溅射分子是非正常峰的主要贡献者。测量并计算出具有低动能的分子以使其在表面法线附近宽峰解吸。计算机模拟表明,来自C60冲击的能量快速沉积会通过流体流动和喷射型运动促进分子发射。偏离法线发射角的特征对于分子是唯一的,因为碎裂过程会去除原本会在垂直于表面的方向上喷射的分子。来自被20-keV轰击的Ni {001}单晶的实验测量值 < msubsup> C 60 + 证明没有此唯一签名。

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