Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2010-09-13
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
10 pages, 4 figures. This is a version edited according to the recommendations of PRB referees
Scientific paper
A numerical method for calculation electronic structure of a nanosystem composed of a pseudoisocyanine (PIC) molecule assembled on a silver nanoparticle is developed. The electronic structure of the silver nanoparticle containing 125 atoms is calculated within the local density version of the density functional method. A model of an Ag atom embedded in the center of a spherical jellium cluster is used. The host electron Green function is calculated by means of the spherically symmetric expansion. The principal theoretical tool is the scattering theory using the Green function method. The molecule -- silver nanoparticle interaction is studied using the approach similar to that of the Anderson model for transition metal impurities in solids. Localized levels are shown to split off from the top of the band of the nanosystem. The electronic structure calculations yield information on the character of chemical bonding in the PIC molecule --- silver particle nanosystem.
Fainberg Boris D.
Farberovich O. V.
Fleurov Victor
Maslov V. G.
No associations
LandOfFree
Green-function method for calculation of adsorption of organic molecules on noble metal nanoparticles does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Green-function method for calculation of adsorption of organic molecules on noble metal nanoparticles, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Green-function method for calculation of adsorption of organic molecules on noble metal nanoparticles will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-337510