Opto-electronic Properties of Nano-electronic Materials

• Autor(a) principal: Keshe,Bahare Agahi
• Data de Publicação: 2017
• Outros Autores: Khakpoor,Ali Asghar
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Materials research (São Carlos. Online)
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392017000501248
• topic: Nanoelectronic; Circumacenes; Binding Energy; Gap Energy; Electron Affinity

Nanoelectronic is nanotechnology applied in the context of electronic circuits and systems. Molecular electronic, which is supposed to replace silicon electronic in the future, is an incipient branch of Nanotechnology which focusing on the organic molecules. Since recognizing and examining this family of Nanostructures needs a long time and very expensive, an appropriate pattern to predict electronic properties is very beneficial; Topological Indices Method (TIM) is a useful approach for this purpose. This study is to present a simple model based on graph theory to predict electronic and optical properties of Circumacenes. Therefore, it is first tried to prove a theorem for RRR index in of Circumacenes family. Then RRR index is measured for some Circumacenes family members. Electronic and physical properties of Circumacenes family (C8(n+2)/3H(2n+22)/3) including Ionization Energy, Binding Energy, Gap Energy, and Electron Affinity Energy, were measured using Gaussian 09 Software by Hartree-Fock method. Finally, the relationships described electro-optical properties of Circumacenes family achieved by RRR index.