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首页> 外文期刊>St. Petersburg Polytechnic University Journal: Physics and Mathematics >Theoretical investigation of electron excitations in photoionization of nanoscale carbon-based systems
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Theoretical investigation of electron excitations in photoionization of nanoscale carbon-based systems

机译：纳米碳基系统光离子化的理论研究

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We present the results of investigation of electron excitations in various carbon-based nanoscale systems in the process of photoionization. As a case in point, we consider a number of highly symmetric fullerenes, namely C[20], C[60] and C[80], as well as aromatic hydrocarbons: benzene (C[6]H[6]) and coronene (C[24]H[12]). The calculations are performed within the model approach, based on the plasmon resonance approximation, and the ab initio framework as well. Analysis of the results demonstrates that the main contribution to the photoionization spectra of nanoscale carbon systems is due to collective excitations of delocalized electrons, known as plasmons. Results of the model-based calculations are in close agreement with those of the more accurate quantum-chemical calculations and correspond also to the existing experimental data.
机译：我们在光相化过程中介绍了各种碳基纳米级系统中电子激发的研究结果。作为某种情况，我们考虑了许多高度对称的富勒烯，即C [20]，C [60]和C [80]，以及芳烃：苯（C [6] H [6]）和冠烯（C [24] H [12]）。基于等离子体共振近似以及AB Initio框架，在模型方法中执行计算。结果分析表明，纳米级碳系统的光相消光光谱的主要贡献是由于分层电子的集体激励，称为等离子体。基于模型的计算结果与更准确的量子化学计算的结果密切一致，并对应于现有的实验数据。

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