Session C1: Poster Session I: 2:00 pm - 5:00 pm
2:00 PM–2:00 PM, Monday, March 10, 2008
Morial Convention Center Room: Exhibit Hall A
Sponsoring Unit:
APS
Abstract ID: BAPS.2008.MAR.C1.55
Abstract: C1.00055 : The Titanium-Boron Nitride interaction
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Abstract 
Authors:
Gerardo J. Vazquez
(Instituto de Fisica)
Fernando Magana
(Instituto de Fisica)
Eduardo Rangel
(Instituto de Fisica)
Gregorio Ruiz
(Instituto de Fisica)
The Boron Nitride (BN) has a structure very similar to that of graphite and this what makes it interesting to study. A sheet of BN has a structure similar to that of the graphene. In this work it was studied, using molecular dynamics based on pseudopotentials theory and Density Functional Theory (DFT), the energy of interaction of a titanium atom with a sheet of BN to obtain the position of adsorption of the titanium in this system.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2008.MAR.C1.55