Divergent Synthesis and Tuning of the Electronic Structures of Cobalt–Dithiolene–Fullerene Complexes for Organic Solar Cells

2014 ◽  
Vol 33 (3) ◽  
pp. 659-664 ◽  
Author(s):  
Yutaka Matsuo ◽  
Keisuke Ogumi ◽  
Masashi Maruyama ◽  
Takafumi Nakagawa
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Electronic Structures ◽  
Fullerene Complexes

DFT Study of New Donor-π-Acceptor Materials Based on Thieno[2,3-b] Indole Candidate for Organic Solar Cells Application

2020 ◽  
Vol 1002 ◽  
pp. 221-229
Author(s):  
Faeq A. Al-Temimei ◽  
Lubna A. Alasadi ◽  
Azhar S. Alaboodi
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Electronic Structures ◽  
Oxidation Process ◽  
Energy Gap ◽  
Energy Levels ◽  
Photovoltaic Properties ◽  
Photo Oxidation ◽  
Td Dft ◽  
Homo And Lumo

In present search, we report theoretical analysis by using DFT (TD-DFT)-B3LYP with 6-31G (d, p) level on the geometries, optoelectronic and absorption characteristics of novel a series of the donor-π-acceptor dyes. Their π-conjugated bridge is based on the thiophene, benzene, pyridine, and pyrazine, the thieno [2,3-b] indole was used as an electron donor (D) and the acid 2-cyanoacrylic was used as an electron acceptor (A) group. The theoretical information of the electronic structures such as energy levels (HOMO and LUMO) and energy gap of the molecules is based on study the dyes in organic solar cells. Consequently the energy levels, energy gap, photovoltaic properties, quantum chemical and absorption parameters of all the dyes have been computed and reported. The calculations show that the dyes under study can theoretically be good photosensitizers in DSSCs. Also, the results show that the LUMO levels of all dyes design lie over the conduction band (Ecb) of the semiconductors TiO2 (or PC70BM) likewise the HOMO levels lie under the decrease potential vitality of the (electrolytes) comparing to ability of electron transfer from the molecular dye excited state to TiO2 (or PC70BM) and chargeerenewal after photo-oxidation process, separately.

Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells

2017 ◽  
Vol 231 (6) ◽  
Author(s):  
Muhammad Adnan ◽  
Javed Iqbal ◽  
Shamsa BiBi ◽  
Riaz Hussain ◽  
Muhammad Nadeem Akhtar ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electron Donor ◽  
Organic Solar Cells ◽  
Electronic Structures ◽  
Photophysical Properties ◽  
Optoelectronic Properties ◽  
Fine Tuning ◽  
Geometrical Parameters

AbstractGeometrical parameters, electronic structures and photophysical properties of three new triphenylamine (TPA) and diphenylamine (DPA) based electron donor materials

The nature of excited states in dipolar donor/fullerene complexes for organic solar cells: evolution with the donor stack size

2016 ◽  
Vol 18 (23) ◽  
pp. 15955-15963 ◽  
Author(s):  
Xingxing Shen ◽  
Guangchao Han ◽  
Yuanping Yi
Keyword(s):  
Solar Cells ◽  
Excited States ◽  
Long Range ◽  
Organic Solar Cells ◽  
Fullerene Complexes

The influence of the donor stack size on the nature of excited states of DTDCTB/C60 complexes is revealed by TDDFT with a ω-tuned long-range corrected functional.

Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review

2014 ◽  
Vol 57 (10) ◽  
pp. 1330-1339 ◽  
Author(s):  
Yao-Tsung Fu ◽  
YuanPing Yi ◽  
Veaceslav Coropceanu ◽  
Chad Risko ◽  
Saadullah G. Aziz ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Electronic Structures ◽  
Theoretical Description ◽  
Organic Interfaces

An Efficient Imine Photocyclization as an Alternative to the Pictet-Spengler Reaction for the Synthesis of AzaBenzannulated Perylenediimide Dyes

2020 ◽  
Author(s):  
Antoine Goujon ◽  
Lou Rocard ◽  
Thomas Cauchy ◽  
Piétrick Hudhomme
Keyword(s):  
Solar Cells ◽  
Visible Light ◽  
Organic Solar Cells ◽  
Reaction Sequence ◽  
Large Scope ◽  
High Yields

AzaBenzannulated PDI (AzaBPDI) dyes were synthesized in high yields via a new reaction sequence involving an imine condensation followed by visible light-induced photocyclization. The large scope and efficiency of this alternative to the Pictet-Spengler reaction is demonstrated, and allows the easy preparation of dimeric AzaBPDI as potential non-fullerene acceptors for organic solar cells.

Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

2019 ◽  
Author(s):  
Matthew Morgan ◽  
Maryam Nazari ◽  
Thomas Pickl ◽  
J. Mikko Rautiainen ◽  
Heikki M. Tuononen ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
Broad Absorption ◽  
Nitrogen Doped ◽  
Large Depth ◽  
End Products ◽  
Boron Nitrogen ◽  
The Way

The electrophilic borylation of 2,5-diarylpyrazines results in the formation of boron-nitrogen doped dihydroindeno[1,2-<i>b</i>]fluorene which can be synthesized via mildly air-sensitive techniques and the end products handled readily under atmosphereic conditions. Through transmetallation via diarylzinc reagents a series of derivatives were sythesized which show broad absorption profiles that highlight the versatility of this backbone to be used in organic solar cell devices. These compounds can be synthesized in large yields, in alow number of steps and functionalized at many stages along the way providing a large depth of possibilities. Exploratory device paramaters were studied and show PCE of 2%.

High Throughput Screening of Highly Efficient Non-fullerene Acceptor based Organic Solar Cells Assisted by a Multi-Dataset Scientific Robot

2019 ◽  
Author(s):  
Enrique Pascual-San-José ◽  
Xabier Rodríguez-Martínez ◽  
Fei Zhuping ◽  
Martin Heeney ◽  
Roger Guimerà-Manrique ◽  
...  
Keyword(s):  
Solar Cells ◽  
High Throughput ◽  
Organic Solar Cells ◽  
High Throughput Screening ◽  
Highly Efficient
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