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Theroretical Approach of the Effect of Doping onElectronic Properties of New Electronic Compounds Basedon Thiophene and Phenylene
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نویسنده
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Zgou H. ,Hamidi M. ,Bouachrine M.
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منبع
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journal of applied chemical research - 2009 - دوره : 10 - شماره : 2 - صفحه:20 -28
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چکیده
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The effect of doping in the new conjugated compounds based on thiophene and phenylenewith the dft method at ub3lyp level with 6-31g (d) basis set is theoretically studied.attention is focused on the study of geometrical and electronic properties. it is shown thatdoping process modifies both bond length and torsion angles and electronic properties byenhancing the planarity and decreasing the band gap. the results of this study demonstratehow the electronic properties can be tuned by doping and nominate these compounds asgood candidates for opto-electronic applications
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کلیدواژه
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Conjugated oligomerss ,Doping ,Thiophene-phenylene ,DFT ,Polaron ,and Bipolaron
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آدرس
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Faculté des Sciences ETTechniques, Unité de Recherche sur les Macromolécules ET Modélisation, Maroc. Faculté des Sciences et Techniques, Unité de Chimie Théorique Appliquée, Maroc, Faculté des Sciences et Techniques, Unité de Chimie Théorique Appliquée, Maroc, Faculté des Sciences ETTechniques, Unité de Recherche sur les Macromolécules ET Modélisation, Maroc. Faculté des Sciences et Techniques, Unité de Chimie Théorique Appliquée, Maroc
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پست الکترونیکی
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lrmm_fste@yahoo.fr
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Authors
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