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Hindi Journal of Nanomaterials & Molecular NanotechnologyISSN: 2324-8777
Mazmira Mohamad Author
Subjects of specialization
Affiliation
Density Functional Theory, DMol3, Materials Studio, Optoelectronics, Computational Materials Science
Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor, Malaysia
Biography
Mazmira Mohamad is in the Universiti Teknologi Malaysia (UTM). Mazmira Mohamad is from the Department of Physics and he has completed his Bachelor of Science from (Physics).
Publications
Research Article Subscription
Thiophene/Graphene Interface Peculiarities for Potential Organic Electronic Applications
Author(s): Mazmira Mohamad, Rashid Ahmed, A Shaari, and Souraya Goumri-Said
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 leve... view more»
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