A strategy to enhance VOC of π-conjugated molecules based on thieno[2,3-b] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR modeling studies-Reference-Cited by-同舟云学术

A strategy to enhance V_OC of π-conjugated molecules based on thieno[2,3-b] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR modeling studies

Published:2023 Issue:2 Volume:47 Page:812-827
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

El Mouhi Rahma¹^ORCID,Daoui Ossama²^ORCID,Fitri Asmae¹,Benjelloun Adil Touimi¹,El Khattabi Souad¹²,Benzakour Mohammed¹,Mcharfi Mohammed¹,Kurban Mustafa³^ORCID

Affiliation:

1. ECIM, LIMAS, Faculty of Sciences Dhar El Mahraz, University Sidi Mohamed Ben Abdallah, Fez, Morocco

2. Laboratory of Engineering, Systems and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, BP Box 72, Fez, Morocco

3. Department of Prosthetics & Orthotics, Faculty of Health Science, Ankara University, Ankara, Turkey

Abstract

The electronic structure and optical properties of eight novel molecules based on 8-alkyl-8H-thieno[2,3-b] indole was determined using density functional theory DFT, TD-DFT and 3D-QSPR.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NJ/D2NJ04281A

Reference70 articles.

1. Morphological Control Agent in Ternary Blend Bulk Heterojunction Solar Cells

2. Tuning of photo- and electroluminescence in alkylated polythiophenes with well-defined regioregularity

3. Solution-processed bulk heterojunction solar cells based on a porphyrin small molecule with 7% power conversion efficiency

4. Polymer Photovoltaic Cells: Enhanced Efficiencies via a Network of Internal Donor-Acceptor Heterojunctions

5. Fluorene-based conjugated poly(arylene ethynylene)s containing heteroaromatic bicycles: preparation and electro-optical properties

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