| Titre : |
Etude théorique des molécules organiques utilisées dans les diodes à effets électroluminescents. |
| Type de document : |
texte imprimé |
| Auteurs : |
Souhile Bekhbekh, Auteur ; Nadia Ouddai, Auteur |
| Editeur : |
جامعة الإخوة منتوري قسنطينة |
| Année de publication : |
2018 |
| Importance : |
94 f. |
| Format : |
30 cm. |
| Note générale : |
2 copies imprimées disponibles
|
| Langues : |
Français (fre) |
| Catégories : |
Français - Anglais
Chimie
|
| Tags : |
DFT TDDFT AIM BDE MEP Marcus COSMO électrophiles spectres d'émission emission spectra التحليل الطوبوغرافي للكثافة الإلكترونية الكهروستاتيكية تحليل تحلل الطاقة أطياف الانبعاث |
| Index. décimale : |
540 Chimie et sciences connexes |
| Résumé : |
This work is devoted to study of the electronic and structural properties and the optical properties of organic light emitting diode compounds.
According to the following methods that we used: DFT, TDDFT, AIM, BDE, MEP, Marcus, COSMO. PMC.
we were able to obtain the following results:
the effect of the alkyloxy group is insignificant on the plane of the molecules and the energy gap.
the effect of the solvent on the absorption is observed in the dichloromethane solvent.
All iodine-based compounds are energetically the most stable compounds and possess the greatest dissociation energy BDE compared to other compounds.
compounds based on 1,3,4-oxadiazole are shown to be more electrophilic than those based on thiophene.
we found links that are not demonstrated by the experimental study, The 1, 3, 4-oxadiazol ligand is shown to have very promising luminescence properties, and may be used as a good candidate for charge transport, and may be offered to experimenters.
the TDDFT study is given the existence of emission spectra for experimental compounds that are not presented in the experimental study, so we can also find the emission spectra of new compounds.
|
| Diplôme : |
Doctorat en sciences |
| En ligne : |
../theses/chimie/BEK7265.pdf |
| Format de la ressource électronique : |
pdf |
| Permalink : |
index.php?lvl=notice_display&id=10862 |
Etude théorique des molécules organiques utilisées dans les diodes à effets électroluminescents. [texte imprimé] / Souhile Bekhbekh, Auteur ; Nadia Ouddai, Auteur . - جامعة الإخوة منتوري قسنطينة, 2018 . - 94 f. ; 30 cm. 2 copies imprimées disponibles
Langues : Français ( fre)
| Catégories : |
Français - Anglais
Chimie
|
| Tags : |
DFT TDDFT AIM BDE MEP Marcus COSMO électrophiles spectres d'émission emission spectra التحليل الطوبوغرافي للكثافة الإلكترونية الكهروستاتيكية تحليل تحلل الطاقة أطياف الانبعاث |
| Index. décimale : |
540 Chimie et sciences connexes |
| Résumé : |
This work is devoted to study of the electronic and structural properties and the optical properties of organic light emitting diode compounds.
According to the following methods that we used: DFT, TDDFT, AIM, BDE, MEP, Marcus, COSMO. PMC.
we were able to obtain the following results:
the effect of the alkyloxy group is insignificant on the plane of the molecules and the energy gap.
the effect of the solvent on the absorption is observed in the dichloromethane solvent.
All iodine-based compounds are energetically the most stable compounds and possess the greatest dissociation energy BDE compared to other compounds.
compounds based on 1,3,4-oxadiazole are shown to be more electrophilic than those based on thiophene.
we found links that are not demonstrated by the experimental study, The 1, 3, 4-oxadiazol ligand is shown to have very promising luminescence properties, and may be used as a good candidate for charge transport, and may be offered to experimenters.
the TDDFT study is given the existence of emission spectra for experimental compounds that are not presented in the experimental study, so we can also find the emission spectra of new compounds.
|
| Diplôme : |
Doctorat en sciences |
| En ligne : |
../theses/chimie/BEK7265.pdf |
| Format de la ressource électronique : |
pdf |
| Permalink : |
index.php?lvl=notice_display&id=10862 |
|
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