RUI: Response of Single- and Multi-Walled Fullerenes and Endohedral Fullerenes to Photons and Charged Particles

在富勒烯笼子中封装一个原子或原子团簇，甚至是一个较小的富勒烯，提供了一个独特的自然实验室，可以在其中检查禁闭中客体系统的行为。对这些内富勒烯的研究不仅可以在原子尺度上产生有趣的效应，还可以探索纳米区域量子效应的微妙之处。内富勒烯还在量子计算、超导、生物医学、药物输送研究、磁共振成像和有机光伏器件等领域有着令人兴奋的应用前景。此外，在地外环境中发现的内富勒烯表明了它们的天体物理意义。因此，了解限制笼对受限物种光谱的影响，反之亦然，是非常有科学意义的事情。目前的研究将对这些化合物对外部电磁场和带电粒子场的响应进行理论研究。利用这一点，将研究(I)电子的集体化等离子体激元运动，(Ii)掺杂剂-富勒烯杂化，和(Iii)从化合物不同位置释放的电子之间的多路径干扰引起的振荡的作用。还将考虑快速、裸离子撞击富勒烯和内富勒烯的光谱，以详细确定偶极和非偶极集体运动的影响，以及各种多极通道之间的干扰。此外，还将计算正电子对形成正电子的富勒烯和内富勒烯的电子俘获。

The encapsulation of an atom or an atomic cluster, or even a smaller fullerene in a fullerene cage offers a unique natural laboratory in which to examine the behavior of the guest system in confinement. Studies of these endofullerenes can not only lead to intriguing effects at the atomic scale but also can probe subtleties of quantum effects in the nanometer region. The endo-fullerenes also hold the promise of exciting applications in areas including, quantum computations, superconductivity, biomedical fields, drug delivery research, magnetic resonance imaging, and organic photovoltaic devices. Further, the discovery of endo-fullerenes in extraterrestrial environments indicates their astrophysical relevance. Hence, understanding the influence of the confining cage on the spectroscopy of the confined species and vice versa, are matters of great scientific interest. A theoretical study of the response of these compounds to the external electromagnetic and charged particle fields will be performed in the current research. By employing this, the roles of (i) the collectivized plasmonic motion of electrons, (ii) the dopant-fullerene hybridization, and (iii) the oscillations due to multipath interferences between electrons liberated from various sites of the compound will be investigated. Spectroscopy of fullerenes and endo-fullerenes by fast, bare ion impact will also be considered to determine in detail the effects of dipole and non-dipole collective motions, and the interference between various multipole channels. Furthermore, calculations of the electron capture by positron impact on fullerenes and endo-fullerenes, forming positroniums, will be undertaken.