Doped fullerenes modeling

The A-potential model multiwalled doped fullerene onions 19... 

The 5-potential model of single-walled doped fullerenes 19... 

The extension of the above described model from neutral doped single-walled fullerenes A Cn to charged doped fullerenes A C Z is pretty straightforward [28]. To account for the effects of a charged shell Cfz, one reasonably assumes that the extra charge z is evenly distributed over the entire outer surface of C . Correspondingly, the entire model potential Vn(r) in the case of charged C z is... 

An alternative simple modeling of doped fullerenes, specifically, A C6o, was developed initially in [34]. It was then used extensively in a number of photoionization studies of thus encaged atoms [34 41], The method is based on approximating the C60 cage by a spherical potential V(r) which differs from zero only within an infinitesimally thin wall of a sphere of radius RC/ the latter being considered the C60 radius, Rc = 6.639 au [47] ... 

The present paper has focused on novel systems, doped fullerenes, with the emphasis on their photoionization spectra. While the photoionization problem of gas phase doped fullerenes has been experimentally addressed only recently in pioneering works [12,13], there has been much more activity on the theoretical side of the problem this has far outstripped experiment. In the present paper, only those results obtained on the basis of simple semiem-pirical models, the A-potential [15,20-22,27-33,43,44] and 5-potential [34-41] models have been highlighted. Surprisingly, even within the framework of these simple models a rich variety of novel effects, particularly the confinement resonances and their manifestations in the photoionization spectra of doped fullerenes has been unraveled. Although the approximations made are indisputably reasonable for trusting the existence of, and trends in, the predicted confinement resonances, and thereby urging their experimental... 

With the advent of the computer, numerous simulated unique patterns such as the rich Julia and Mandelbrot sets have been created this is computer graphical generation by pure mathematical models. However, these unique patterns were formed only in the computer by the mathematical means. The twin problems of how to realize these patterns in a real physical system and how to bridge the gap between the real physical system and the pure mathematical model have stimulated the interest of many natural scientists. Since the discovery of buckminsterfullerene its physical properties and interactions with atoms, molecules, polymers, and crystalline surfaces have also been the subject of intensive investigations. Moreover, fullerene-doped polymers show particular promise as new materials with novel electrical, optical, and/or optoelectrical properties. The present study focuses on the striking morphological properties of fullerene-TCNQ multilayered thin films formed under proper growth conditions and explores the relationship between the real physical system and the pure mathematical model. 

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