In this paper, we introduce new features of silicon in fullerane structures. Silicon, when placed in a fullerane structure, increases its electron affinity and electrophilicity index, compared to placement in a diamondoids structure. These nanoparticles can be used to make optical sensors to detect viral environments. In this work, we theoretically examine the changes in the UV-Visible spectrum of sila-fulleranes by interacting with viral spikes. As a result, we find out how the color of silicon nanoparticles changes when they interact with viruses. We apply N- and O-Links for viral glycoprotein structures, and Si20H20 silicon dodecahedrane, respectively. Our computational method to obtain optimal structures and their energy in the ground and excited states, is density functional theory (DFT). Besides, to get the UV-Visible spectrum, time-dependent density functional theory (TD-DFT) approach has been used. Our results show that the color of sila-dodecahedrane is white, and turns green in the face of viral spikes. We can use the optical sensitivity of silicon nanoparticles, especially to identify environments infected with the novel coronavirus.

中文翻译：

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用于环境监测的硅富勒烷与糖蛋白相互作用的光学响应

在本文中，我们介绍了富勒烷结构中硅的新特性。与放置在类金刚石结构中相比，当放置在富勒烷结构中时，硅会增加其电子亲和性和亲电指数。这些纳米颗粒可用于制造光学传感器以检测病毒环境。在这项工作中，我们通过与病毒尖峰相互作用，从理论上研究了硅富勒烷的紫外-可见光谱变化。结果，我们发现了当硅纳米颗粒与病毒相互作用时，它们的颜色是如何变化的。我们分别对病毒糖蛋白结构和 Si20H20 硅十二面体应用 N-和 O-Links。我们获得最佳结构及其基态和激发态能量的计算方法是密度泛函理论 (DFT)。此外，为了获得紫外-可见光谱，时间相关密度泛函理论（TD-DFT）方法已被使用。我们的结果表明，硅十二面体的颜色是白色的，在遇到病毒尖峰时会变成绿色。我们可以利用硅纳米粒子的光学灵敏度，特别是识别感染新型冠状病毒的环境。