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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Scattering Dynamics, Survival, and Dispersal of Dimethyl Methylphosphonate Interacting with the Surface of Multilayer Graphene
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Scattering Dynamics, Survival, and Dispersal of Dimethyl Methylphosphonate Interacting with the Surface of Multilayer Graphene

机译：甲基膦酸二甲酯与多层石墨烯表面相互作用的散射动力学，存活和分散

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We explored the interaction of a molecular beam of dimethyl methylphosphonate with a multilayer graphene surface to better understand the fate of chemical warfare agents in the environment. The experiments were done at surface temperatures between 120 and 900 K and translational energies between 200 and 1500 meV. At the lowest temperatures, the dimethyl methylphosphonate is adsorbed, with the molecules next to the carbon surface held slightly more strongly than the bulk molecular film that grows with continued dosing. We measured the desorption energy for submonolayer coverage using modulated beam techniques and found a value of 290 meV (28 kJ/mol). At higher surface temperatures, where the residence times are very short, we measured the scattering of the dimethyl methylphosphonate as a function of angle and translational kinetic energy. For a surface temperature of 250 K, with translational kinetic energies between 200 and 1500 meV, much of the incident flux has nearly been accommodated by the surface temperature and has no memory of the incident momentum. The internal energy also seems to be at least partially accommodated. As the surface temperature increases, the scattering transitions to direct-inelastic reflection, where much of the incident translational energy is retained, and the intensity of the scattering peaks superspecularly toward glancing final angles. These results demonstrate the efficacy of using kinetic energy controlled molecular beams to probe the interactions of complex organic molecules with well-defined surfaces, extending our fundamental understanding of how the dynamics for such systems crossover from trapping-desorption to direct inelastic scattering. Moreover, these results indicate that simulations that model the dispersal of chemical warfare agents using common interfaces in the environment need to account for multiple bounce trajectories and survival of the impinging molecules.
机译：我们探索了甲基膦酸二甲酯分子束与多层石墨烯表面的相互作用，以更好地了解环境中化学战剂的命运。实验是在120至900 K的表面温度和200至1500 meV的转化能之间进行的。在最低温度下，甲基膦酸二甲酯被吸附，与碳表面相邻的分子比在连续加料过程中生长的本体分子膜更牢固。我们使用调制束技术测量了亚单层覆盖的解吸能量，发现其值为290 meV（28 kJ / mol）。在较高的停留时间非常短的表面温度下，我们测量了甲基膦酸二甲酯的散射随角度和平移动能的变化。对于250 K的表面温度以及200到1500 meV的平移动能，许多入射通量几乎已被表面温度所容纳，并且不存储入射动量。内部能量似乎也至少被部分容纳。随着表面温度的升高，散射转变为直接非弹性反射，其中保留了许多入射平移能量，并且散射强度以超镜面反射的角度朝向最终的角度倾斜。这些结果证明了使用动能控制的分子束来探测复杂有机分子与定义明确的表面的相互作用的功效，扩展了我们对此类系统的动力学如何从捕集-解吸到直接非弹性散射的基本理解。此外，这些结果表明，使用环境中的常用界面对化学战剂的扩散进行建模的模拟需要考虑多个弹跳轨迹和撞击分子的存活。

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