A molecule on the surface or inside a spherical nanoparticle: the computation of the interaction energy in terms of the dielectric continuum modelстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The electrostatic interaction energy between a charged or polar molecule and a spherical polarizable nanoparticle is studied within the advanced dielectric continuum model proposed previously. The molecule can be located either inside or outside the nanoparticle or in the vicinity of its boundary surface. The nanoparticle and its environment are considered as a polarizable medium and described in terms of a nonuniform dielectric continuum approximation with a position-dependent dielectric permittivity function , where r is the position vector. A special construction of this function accounts for the proper treatment of sophisticated boundary effects. Test computations are performed for a number of sample molecules.