Opto-electronic Properties of Nano-electronic Materials

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 fami...

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Main Authors: Bahare Agahi Keshe, Ali Asghar Khakpoor
Format: Article
Language:English
Published: Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol) 2017-07-01
Series:Materials Research
Subjects:
Online Access:http://www.scielo.br/pdf/mr/v20n5/1516-1439-mr-1980-5373-MR-2016-0860.pdf
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author Bahare Agahi Keshe
Ali Asghar Khakpoor
author_facet Bahare Agahi Keshe
Ali Asghar Khakpoor
author_sort Bahare Agahi Keshe
collection DOAJ
description 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.
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publishDate 2017-07-01
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spelling doaj.art-f5284f7791984e7da078eac956908c242022-12-21T21:23:54ZengAssociação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)Materials Research1516-14392017-07-012051248125310.1590/1980-5373-mr-2016-0860Opto-electronic Properties of Nano-electronic MaterialsBahare Agahi KesheAli Asghar KhakpoorNanoelectronic 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.http://www.scielo.br/pdf/mr/v20n5/1516-1439-mr-1980-5373-MR-2016-0860.pdfNanoelectronicCircumacenesBinding EnergyGap EnergyElectron Affinity
spellingShingle Bahare Agahi Keshe
Ali Asghar Khakpoor
Opto-electronic Properties of Nano-electronic Materials
Materials Research
Nanoelectronic
Circumacenes
Binding Energy
Gap Energy
Electron Affinity
title Opto-electronic Properties of Nano-electronic Materials
title_full Opto-electronic Properties of Nano-electronic Materials
title_fullStr Opto-electronic Properties of Nano-electronic Materials
title_full_unstemmed Opto-electronic Properties of Nano-electronic Materials
title_short Opto-electronic Properties of Nano-electronic Materials
title_sort opto electronic properties of nano electronic materials
topic Nanoelectronic
Circumacenes
Binding Energy
Gap Energy
Electron Affinity
url http://www.scielo.br/pdf/mr/v20n5/1516-1439-mr-1980-5373-MR-2016-0860.pdf
work_keys_str_mv AT bahareagahikeshe optoelectronicpropertiesofnanoelectronicmaterials
AT aliasgharkhakpoor optoelectronicpropertiesofnanoelectronicmaterials