Seminar @ DF UniTS - Friday 11 Dec. 14:00, LB, Room 204 - M. Ludueña

[peressi at ts.infn.it]

We are pleased to announce the seminar @ DF UniTs:
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Martin Ludueña

UNC (Universidad Nacional De Córdoba); INFIQC/CONICET (Argentina)

"Modeling Thiol-Gold interface for protected nanoparticles: Numerical
model implementation on a convenient computational platform"

Friday 11 December 2015, 14:00, Department of Physics, Leonardo Building,
Room 204

ABSTRACT
Self-assembled monolayers (SAMs) are applied to gold nanoparticles to
guide growth, increase stability, and provide additional functionality.
However, as with any surface coating, the changes to the energetics of the
surface can have unanticipated consequences, as well as can introduce new
opportunities. Understanding the relationship between the coverage degree
and type of the SAMs and the underlying gold nanoparticles is challenging,
but can be explored very efficiently using modeling and computational
simulations. In that sense, very recently we have developed a
semi-empirical many-body potential, fitted from DFT calculations, which
takes account many different absorption sites for MethilThiolate on Gold
Surfaces.

Organized by M. Peressi within an Italy-Argentina Project co-funded by MAECI