A first-principles computational and experimental investigation on schiff base cobalt complex towards designing solar cells

Chouk, Rihab; Aguir, Chadlia; Haouanoh, Djedjiga; Bergaoui, Manel; Tala-Ighil, R.; Σταθάτος, Ηλίας; Khalfaoui, Mohamed

doi:10.1016/j.molstruc.2019.07.026

Cited by 18 publications

(4 citation statements)

References 40 publications

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“…The powder samples were diluted to a suitable solution and coated on a glass slide (Figure 6) using a drop-casting method to form a thin film with a uniform thickness of ~2μm. (10)(11)(12)(13)(14)(15)(16)(17)(18)(19)(20) there is an appropriate pattern change in the synthesized Schiff base compound. At these angles, the intensities were reduced with changes in the neighbouring layers, indicating the development of a strain with low ordering.…”

Section: Resultsmentioning

confidence: 99%

“…Previous experimental studies of Schiff base molecules [17][18][19][20][21] with experimental studies are supported by computational methods providing optimization of molecular structures with energy minima, intermolecular interactions, changes in electron density, transitions associated with energy levels, refractive index, and dielectric constant, which are responsible for the optoelectronic properties. Understanding and understanding the electronic and optical properties of these Schiff base compounds will help in the design of organic Schiff base compounds for optoelectronic applications.…”

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confidence: 99%

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Structural Aspects and Characterization of Synthesized Novel Schiff Base of 4- Hydroxybenzaldehyde with Anilines for Optoelectronic Properties

Prasanti,

Jha,

Kumar

et al. 2023

Preprint

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Optical materials and organic and nonlinear molecules are the leading materials that exhibit semiconducting properties that are useful for industrial purposes in terms of their optical and electronic properties. These active organic materials developed into films are of vital importance in terms of their molecular structure, molecular properties, and electronic and optical properties compared to inorganic materials. The present article focuses on the development of thin films with the synthesis of Schiff base of 4-hydroxy benzaldehydes and substituted anilines to obtain target compounds using the green synthesis method. The formation of the Schiff base compounds was confirmed by spectral methods, infrared spectroscopy, ultraviolet spectroscopy, and proton NMR. Powdered XRD provide useful information of structure, composition and crystalline proximity of the synthesized Schiff base compounds. The optical properties of the refractive index and dielectric constant were confirmed by spectroscopic ellipsometry studies. Computational studies were performed using the Gaussian 16 package with the B3LYP method basis set 6-311++** for all molecular compounds to confirm the molecular structures, optimized geometry, and electronic and optical properties.The insights of these properties are best visualized in terms of quantum mechanical descriptors that occur due to changes in electron density. Studies of these Schiff base compounds with nitro groups proved to exhibit optical properties and behave as excellent organic semiconducting materials with an energy gap of 3.08 eV ; refractive index of 2.074, and dielectric constant of 4.303.

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Section: Resultsmentioning

confidence: 99%

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confidence: 99%

Structural Aspects and Characterization of Synthesized Novel Schiff Base of 4- Hydroxybenzaldehyde with Anilines for Optoelectronic Properties

Prasanti,

Jha,

Kumar

et al. 2023

Preprint

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“…The SB compounds are also used in nanotechnology as coatings for chemical sensing [82] and as supramolecular sensing materials for preparation of potentiometric membrane sensors [83]. The complexes of SBs are applied for production of dye-sensitized solar cells [84][85][86][87]. The utilization of SB complexes including PGM oligomers as energy storage materials for batteries and supercapacitors was summarized by Zhang [88].…”

Section: Importance and Application Of Schiff Base Ligands And Their Complexesmentioning

confidence: 99%

Homo- and Hetero-Oligonuclear Complexes of Platinum Group Metals (PGM) Coordinated by Imine Schiff Base Ligands

Mirosław

2020

IJMS

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Chemistry of Schiff base (SB) ligands began in 1864 due to the discovery made by Hugo Schiff (Schiff, H., Justus Liebigs Ann. der Chemie 1864, 131 (1), 118–119). However, there is still a vivid interest in coordination compounds based on imine ligands. The aim of this paper is to review the most recent concepts on construction of homo- and hetero-oligonuclear Schiff base coordination compounds narrowed down to the less frequently considered complexes of platinum group metals (PGM). The combination of SB and PGM in oligonuclear entities has several advantages over mononuclear or polynuclear species. Such complexes usually exhibit better electroluminescent, magnetic and/or catalytic properties than mononuclear ones due to intermetallic interactions and frequently have better solubility than polymers. Various construction strategies of oligodentate imine ligands for coordination of PGM are surveyed including simple imine ligands, non-innocent 1,2-diimines, chelating imine systems with additional N/O/S atoms, classic N2O2-compartmental Schiff bases and their modifications resulting in acyclic fused ligands, macrocycles such as calixsalens, metallohelical structures, nano-sized molecular wheels and hybrid materials incorporating mesoionic species. Co-crystallization and formation of metallophilic interactions to extend the mononuclear entities up to oligonuclear coordination species are also discussed.

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“…In fact, substantial research has shown that the metal complexation of Schiff bases (Tay et al, 2013) has a significant impact on their activity as well as their optoelectronic properties. As a result, they could be used as sensitizers and acceptors in DSSC (Chouk et al, 2019).…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Conjugated bis-Schiff Base and Their Complexes as Dye-Sensitizer for Dye Sensitized Solar Cell (DSSC) Application

HALMI

Tay²

2022

BJRST

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Schiff base and their metal complexes have been widely used as photovoltaic materials due to their excellent π-electron transfer properties along the molecule. A total of eleven conjugated symmetrical bis-Schiff base and their complexes with different π-spacers have been synthesized and spectroscopically characterized in order to investigate their conversion efficiency in dye-sensitizer solar cells (DSSC). All compounds were either substituted with hydroxy (-OH) or methoxy (-OMe) as the electron donor and difluoro boron (BF2) as the electron acceptor or without any substituent. All compounds were applied as dye-sensitizer in DSSC using titanium (IV) oxide (TiO2) coated on a fluoride doped tin oxide glass as the working electrode and electric paint containing carbon black, whereas graphene coated indium tin oxide glass as the counter electrode. The power conversion efficiencies of the eleven bis-Schiff bases were compared to N3 Dye as the benchmark standard. The results showed that the compound with aromatic ring bridge as the π-spacer and -OMe substituent gave the highest efficiency at 0.0691% whereas the compound with aromatic ring and BF2 gave the lowest efficiency at 0.0012%.

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A first-principles computational and experimental investigation on schiff base cobalt complex towards designing solar cells

Cited by 18 publications

References 40 publications

Structural Aspects and Characterization of Synthesized Novel Schiff Base of 4- Hydroxybenzaldehyde with Anilines for Optoelectronic Properties

Structural Aspects and Characterization of Synthesized Novel Schiff Base of 4- Hydroxybenzaldehyde with Anilines for Optoelectronic Properties

Homo- and Hetero-Oligonuclear Complexes of Platinum Group Metals (PGM) Coordinated by Imine Schiff Base Ligands

Synthesis of Conjugated bis-Schiff Base and Their Complexes as Dye-Sensitizer for Dye Sensitized Solar Cell (DSSC) Application

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