Department of Physical and Theoretical Chemistry, School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UK.
Phys Chem Chem Phys. 2013 Dec 14;15(46):20115-9. doi: 10.1039/c3cp53522c.
An analytical solution for the distribution of surface charge on a dielectric sphere due to the presence of an external point charge is presented. This solution describes how charge on the surface of the sphere is polarised in the electric field into regions of negative and positive charge. The polarisation effect (distribution of surface charge) generally varies with the separation between the sphere and the charge, and it is particularly significant at very short separations. Results obtained from the classical electrostatic model are in qualitative agreement with density functional theory calculations of charge separation in C60 and C240 fullerenes in the presence of an external point charge. This suggests that, from an electrostatic point of view, in the static electric field of external charges these molecules exhibit dielectric behaviour.
提出了一种在外电场作用下，电介质球表面电荷分布的解析解。该解描述了在电场作用下，球体表面电荷如何极化形成正负电荷区域。极化效应（表面电荷分布）通常随球与电荷之间的距离而变化，在非常短的距离处尤为显著。经典静电模型得到的结果与在外点电荷作用下 C60 和 C240 富勒烯中电荷分离的密度泛函理论计算在定性上是一致的。这表明，从静电观点来看，在外电荷的静电场中，这些分子表现出介电行为。
