Abstracts Book - IMRC 2018

• SD1-O044
INTERACTIONS BETWEEN ALANINE, GLYCINE AND PROLINE
WHEN ADSORBED ON A GRAPHENE SURFACE
Ali Fransuani Jiménez González 1 , Luis Fernando Magaña 1
1 Instituto de Física - Universidad Nacional Autónoma de México, Solid State, Mexico.
Using density functional theory (DFT), we studied the adsorption of alanine,
glycine and proline, the main amino acids of spider’s silk and their mutual
interaction when they are close to graphene sheet with one vacancy. We
propose different orientations and distributions of the amino acids respect
graphene. We describe and analyze the band structure, density of states,
absorption of light and electronic distribution. The absorption energy of the
system is -1.63 eV.
Acknowledgment:
We thank Programa de Apoyo a Proyectos de Investigación e Innovación
Tecnológica (PAPIIT) de la Universidad Nacional Autonoma de Mexico, financial
support by Grant IN-111817. We also thank Dirección General de Cómputo y de
TecnologıÌ•as de Información y Comunicación (DGTIC) for the
supercomputing resources provided through the project LANCAD-UNAM-
DGTIC-030.
Keywords: DFT, GRAPHENE, AMINO ACIDS
Presenting authors email: alifransuanijg@gmail.com