A comparative study of the effect of fluorine substitution on the photovoltaic performance of benzothiadiazole-based copolymers

RSC Advances ◽  
2016 ◽  
Vol 6 (53) ◽  
pp. 47676-47686 ◽  
Author(s):  
Tzong-Liu Wang ◽  
Chien-Hsin Yang ◽  
Yao-Yuan Chuang
Keyword(s):  
Energy Level ◽  
Comparative Study ◽  
Photovoltaic Performance ◽  
Lumo Energy ◽  
Fluorine Substitution ◽  
Lumo Energy Level ◽  
Homo And Lumo ◽  
Homo And Lumo Energy

Fluorination on the acceptor unit is effective to lower both the HOMO and LUMO energy level of the copolymer.

Semi Empirical Study of a System Containing a Six-membered Ring

2004 ◽  
Vol 59 (11) ◽  
pp. 853-856
Author(s):  
H. Kara ◽  
Y. Yahsi ◽  
Y. Elerman ◽  
A. Elmali
Keyword(s):  
Chemical Potential ◽  
Chair Conformation ◽  
Membered Ring ◽  
Chemical Hardness ◽  
Mo Calculations ◽  
Lumo Energy ◽  
Conformational Interconversion ◽  
Homo And Lumo ◽  
Semi Empirical ◽  
Homo And Lumo Energy

Semi-empirical AM1 SCF-MO calculations have been used to find the structure optimization and conformational interconversion pathways of a system containing a six-membered ring. The system has the two symmetrical energy-minimum conformations, chair and twist. The chair conformation has the most stable geometry. Some quantum parameters such as HOMO and LUMO energy, the chemical hardness and chemical potential are discussed

A 9,9′-spirobi[9H-fluorene]-cored perylenediimide derivative and its application in organic solar cells as a non-fullerene acceptor

2016 ◽  
Vol 52 (8) ◽  
pp. 1649-1652 ◽  
Author(s):  
Jinduo Yi ◽  
Yiling Wang ◽  
Qun Luo ◽  
Yi Lin ◽  
Hongwei Tan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Energy Level ◽  
Organic Solar Cells ◽  
Light Absorption ◽  
Polymer Solar Cells ◽  
Lumo Energy ◽  
Lumo Energy Level

A structurally orthogonal molecule (SBF-PDI4) with a 9,9′-spirobi[9H-fluorene] (SBF) core and four perylenediimide (PDI) at periphery was developed for use in polymer solar cells. Proper LUMO energy level (−4.1 eV) and good light absorption ability over 450–550 nm make it an excellent non-fullerene acceptor.

scholarly journals Synthesis and Characterisation of Novel Thiophene Based Azomethine Polymers and Study of Their Liquid Crystalline, Electrochemical and Optoelectronic Properties

2017 ◽  
Vol 25 (5) ◽  
pp. 345-362 ◽  
Author(s):  
Omer Yasin Al-Janabi ◽  
Peter J.S. Foot ◽  
Emaad Taha Al-Tikrity ◽  
Peter Spearman
Keyword(s):  
Cyclic Voltammetry ◽  
Liquid Crystalline ◽  
Room Temperature ◽  
Energy Levels ◽  
Band Gaps ◽  
Gas Liquid Chromatography ◽  
Lumo Energy ◽  
Chemical Structures ◽  
Homo And Lumo ◽  
Homo And Lumo Energy

This work reports the synthesis, structural characterisation, liquid crystallinity, luminescence and electroluminescence of novel thiophene azomethine polymers. The polymers under study were prepared via oxidative polymerisation of four novel monomers at room temperature using iron (III) chloride. The chemical structures of the prepared monomers and polymers were confirmed by infrared and 1H and 13CNMR spectroscopy. Molecular masses were determined for monomers and polymers by gas/liquid chromatography-mass spectrometry (GC/LC-MS) and by gel-permeation (size exclusion) chromatography (SEC), respectively. Thermal stability studies of the prepared materials were achieved by thermogravimetric analysis (TGA), and the onset of weight loss To and the endset Tmax were calculated from the thermograms. Liquid crystalline mesophases and phase changes of the monomers and polymers were studied by differential scanning calorimetry (DSC) and polarised optical microscopy (POM), and the glass transition temperatures Tg of the polymers were determined from the DSC curves. The electrochemical band gaps, HOMO and LUMO energy levels were measured by cyclic voltammetry. UV-visible absorption-emission spectra (liquid and solid films) of the polymers were obtained at room temperature with different solvents. Optical band gaps were calculated from the absorption edges, and were in good agreement with those estimated from cyclic voltammetry. Mixing the polymers with lanthanide salts such as EuCl3 and YbCl3 gave modified fluorescence, and the light emitted was much more intense than that from the pure polymers. Polymer based light-emitting diodes (PLEDs) were fabricated by spin coating, and their current-voltage characteristics were measured. In preliminary work, the polymer devices were found to produce electroluminescent spectra similar to the PL spectra of the corresponding samples. Molecular modelling studies were performed both on polymer segments and monomer molecules; the absorption spectra of the prepared polymers, HOMO and LUMO energy levels were calculated with ZINDO using AMI geometry optimisation.

scholarly journals Synthesis of Novel Derivatives of Carbazole-Thiophene, Their Electronic Properties, and Computational Studies

2016 ◽  
Vol 2016 ◽  
pp. 1-14 ◽  
Author(s):  
E. F. Damit ◽  
N. Nordin ◽  
A. Ariffin ◽  
K. Sulaiman
Keyword(s):  
Electronic Properties ◽  
Theoretical Calculations ◽  
Energy Levels ◽  
Phenyl Group ◽  
Cyclic Voltammogram ◽  
Coupling Reactions ◽  
Lumo Energy ◽  
Homo And Lumo ◽  
Derivatives Of ◽  
Homo And Lumo Energy

A series of carbazole-thiophene dimers,P1–P9, were synthesized using Suzuki-Miyaura and Ullmann coupling reactions. InP1–P9, carbazole-thiophenes were linked at the N-9 position for different core groups via biphenyl, dimethylbiphenyl, and phenyl. Electronic properties were evaluated by UV-Vis, cyclic voltammogram, and theoretical calculations. Particularly, the effects of conjugation connectivity on photophysical and electrochemical properties, as well as the correlation between carbazole-thiophene and the core, were studied. Carbazole connecting with thiophenes at the 3,6-positions and the phenyl group as a core group leads to increased stabilization of HOMO and LUMO energy levels where the bandgap (ΔE) is significantly reduced.

PTB7-Th based organic solar cell with a high V oc of 1.05 V by modulating the LUMO energy level of benzotriazole-containing non-fullerene acceptor

2017 ◽  
Vol 62 (18) ◽  
pp. 1275-1282 ◽  
Author(s):  
Bo Xiao ◽  
Yingjie Zhao ◽  
Ailing Tang ◽  
Haiqiao Wang ◽  
Jing Yang ◽  
...  
Keyword(s):  
Solar Cell ◽  
Energy Level ◽  
Organic Solar Cell ◽  
Lumo Energy ◽  
Lumo Energy Level

Study on the photophysical and electrochemical property and molecular simulation of broadly absorbing and emitting perylene diimide derivatives with large D–π–A structure

RSC Advances ◽  
2014 ◽  
Vol 4 (82) ◽  
pp. 43538-43548 ◽  
Author(s):  
Long Yang ◽  
Yuyan Yu ◽  
Jin Zhang ◽  
Yuanqing Song ◽  
Long Jiang ◽  
...  
Keyword(s):  
Energy Level ◽  
Molecular Simulation ◽  
Electrochemical Property ◽  
Light Absorption ◽  
Perylene Diimide ◽  
Synthetic Route ◽  
Lumo Energy ◽  
Lumo Energy Level ◽  
Perylene Diimide Derivatives

A simple synthetic route to obtain perylene diimide candidate materials with large conjugation, obvious ICT, broad light-absorption/emission, concentration-dependant ð–ð staking induced fluorescence and low-lying LUMO energy level.

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