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Absorption and Raman scattering by molecule adsorbed on crystal surface: many particles approach
Chemical Physics ( IF 2.0 ) Pub Date : 2018-12-01 , DOI: 10.1016/j.chemphys.2018.11.015
A.M. Yaremko , V.V. Koroteev , V.O. Yukhymchuk , Yu.A. Romanyuk , O.M. Hreshchuk , A.J. Barnes , H. Ratajczak

The spectroscopy of an organic molecule adsorbed on the surface of a crystal is studied using the many particle approach. The interaction between electrons and vibrations of the molecule as well as the interaction of crystal electrons between each other and with the electrons of the molecule is taken into account. It is supposed that molecules adsorbed on the surface do not interact one with another directly but rather such interaction arises by the electrons of the crystal. All these interactions give rise to a very complicated dependence of the spectrum. Because all molecules are arbitrarily distributed on the crystal surface the symmetry of the system molecule-crystal surface is small, C1, and so all forbidden rules for absorption and Raman scattering (RS) processes are identical. Numerical simulation of the frequency dependence of absorption (or RS) coefficient, obtained in the framework of micro-approach using the Green function method, showed that at some relations between energy excitation of the molecule and the gap between the electron bands of the crystal film, and also the position of the Fermi level, can result in significant enhancement of absorption (or RS), relative to the free molecule, in the complex molecule-crystal film.



中文翻译:

吸附在晶体表面的分子的吸收和拉曼散射:许多粒子接近

使用多粒子方法研究了吸附在晶体表面的有机分子的光谱。考虑到电子与分子振动之​​间的相互作用以及晶体电子彼此之间以及与分子电子之间的相互作用。据推测,吸附在表面上的分子不会彼此直接相互作用,而是这种相互作用是由晶体的电子产生的。所有这些相互作用导致了光谱的非常复杂的依赖性。因为所有分子都任意分布在晶体表面上,所以系统分子-晶体表面的对称性很小,C 1,因此所有禁止吸收和拉曼散射(RS)过程的规则都是相同的。在格林方法的微观方法框架内获得的吸收(或RS)系数的频率依赖性的数值模拟表明,在分子的能量激发与晶体膜电子带之间的间隙之间存在某些关系费米能级的位置以及费米能级的位置也可能导致复合分子晶体薄膜中相对于游离分子的吸收(或RS)显着提高。

更新日期:2018-12-01
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