CNR-ISTP (Istituto per la Scienza e Tecnologia dei Plasmi), Via Amendola 122/D, 70126 Bari, Italy.
Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, Via Elce di Sotto 8, 06123 Perugia, Italy.
Molecules. 2022 Nov 2;27(21):7445. doi: 10.3390/molecules27217445.
The inelastic scattering of N molecules from silica surfaces, taken at 100 K, has been investigated by adopting a semiclassical collision model in conjunction with the appropriate treatment of the long-range interaction forces. Such forces promote the formation of the precursor state that controls all basic elementary processes occurring at the gas-surface interphase. The probabilities for the different elementary surface processes triggered by quartz are determined and compared with those recently obtained for another silica polymorph (cristobalite). In addition, the final roto-vibrational distributions of N molecules undergoing inelastic scattering have been characterized. N molecules, impinging on both considered surfaces in low-medium vibrational states, preserve the initial vibrational state, while those inelastically scattered are rotationally excited and translationally colder. The surface temperature effect, investigated by raising the temperature itself from 100 K up to 1000 K, emerges more sharply for the cristobalite polymorph, mainly for the molecules impinging in the ground roto-vibrational state and with low collision energies.
采用半经典碰撞模型并结合长程相互作用力的适当处理方法，研究了 N 分子在 100 K 时从二氧化硅表面的非弹性散射。这些力促进了前体状态的形成，前体状态控制着在气-固界面发生的所有基本的基本过程。确定了由石英引发的不同基本表面过程的概率，并将其与最近获得的另一种二氧化硅多晶型体（方石英）的概率进行了比较。此外，还对经历非弹性散射的 N 分子的最终转动-振动分布进行了特征描述。撞击在这两种考虑的表面上的处于低-中振动状态的 N 分子保持初始振动状态，而那些非弹性散射的分子则发生转动激发和平动冷却。通过将温度从 100 K 升高到 1000 K 来研究表面温度的影响，对方石英多晶型体更为明显，主要是对于撞击在基态转动-振动状态且碰撞能较低的分子。
