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

将一个原子或原子簇，甚至是一个较小的富勒烯封装在富勒烯笼中，提供了一个独特的自然实验室，在这个实验室中可以研究客体系统在限制下的行为。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，而且可以在纳米区域探索量子效应的微妙之处。内富勒烯在量子计算、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也有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在天体物理学上的相关性。因此，了解笼对受限制物种光谱的影响，以及笼对受限制物种光谱的影响，是具有重大科学意义的问题。本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。通过使用这种方法，将研究(i)电子的集体性等离子体运动，（ii）掺杂-富勒烯杂化，以及（iii）从化合物的不同位置释放的电子之间的多径干涉引起的振荡的作用。富勒烯和内富勒烯的光谱学也将考虑通过快速，裸离子撞击来详细确定偶极子和非偶极子集体运动的影响，以及各种多极通道之间的干扰。此外，还将计算正电子对富勒烯和内富勒烯产生的电子捕获，从而形成正电子。

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.