Journal of Nanomaterials & Molecular NanotechnologyISSN: 2324-8777

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Research Article, J Nanomater Mol Nanotechnol Vol: 7 Issue: 1

Thiophene/Graphene Interface Peculiarities for Potential Organic Electronic Applications

Mazmira Mohamad1, Rashid Ahmed1, A Shaari1, and Souraya Goumri-Said2*

1Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor, Malaysia

2College of Science, Department of Physics, Alfaisal University, P.O. Box 50927, Riyadh 11533, Saudi Arabia

*Corresponding Author : Souraya Goumri-Said
College of Science, Department of Physics, Alfaisal University, P.O. Box 50927, Riyadh 11533, Saudi Arabia
E-mail: [email protected]

Received: October 19, 2017 Accepted: January 06, 2018 Published: January 11, 2018

Citation: Mohamad M, Ahmed R, Shaari A, Goumri-Said S (2018) Thiophene/Graphene Interface Peculiarities for Potential Organic Electronic Applications. J Nanomater Mol Nanotechnol 7:1. doi: 10.4172/2324-8777.1000235

Abstract

Interfacial study between thiophene molecule and graphene surface is presented by employing density functional theory methods. To do so, interfacing separation distance is varied from 1.00Å to 2.50Å. Our reported HOMO-LUMO energy gap values, adsorption energy as well as binding energy show the existence of intermolecular forces accumulated from the attractive van der Waals and Pauli repulsion forces. It is noted subsequently that the growing intermolecular forces are very sensitive even to relatively a small change in the interfacing separation distance between the molecule and surface. In the electronic density of states, dense electrons population of the thiophene/graphene system is found with appearance of spinpolarization at energy Fermi level. Moreover, a slight magnetic behaviour on thiophene molecule, accompanied by a decrease in the magnetization of graphene surface, is observed in the presence of the molecule near to the surface.

Keywords: Graphene; π-π bonding; Molecular structure; Intermolecular forces; Molecular binding energy; Surfaces adsorption

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