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Abstract We have successfully synthesized three derivative of phenylglycine by Schotten-Baumann method denoted as 2-[(4-methylbenzoyl) amino] phenyl acetic acid (B-Me), 2-(benzoyl amino) phenyl acetic acid (B-H) and 2-[(4-chlorobenzoyl) amino] phenyl acetic acid (B-Cl). Afterward, dealing with improving electrochemical properties of the poly ortho aminophenol (POAP), we fabricated POAP/B-Me, POAP/B-H and POAP/B-Cl films through electro-polymerization of POAP by employing of N-benzoyl derivatives of phenylglycine to consider as the active electrode for SCs. Analysis of electronic wave function (DFT-method) results show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures and electron donating group on the N-benzoyl derivatives has main important effect rather than electron withdrawing group. The electrochemical properties of electrodes and the capacitive behavior of the resulting capacitors were systematically studied using cyclic voltammetry (CV), ac impedance and constant current charge–discharge tests. The specific capacitance of POAP/B-Me electrode was exhibited as high as 614.3 F/g, in comparison with a value of 261 F/g for POAP film. These results make POAP/B-Me it a promising candidate for supercapacitor applications. Highlights • Developing a simple and green route for synthesis of composite of POAP • Improving electrochemical properties of the poly ortho aminophenol • Presenting a novel and efficient composite materials for electrochemical redox capacitors [ABSTRACT FROM AUTHOR]

Abstract Three newly synthesized N ‑benzoyl derivatives of isoleucine (3‑methyl 2‑[(4‑methylbenzoyl) amino] pentanoic acid (C-Me(, 2‑(benzoyl amino) 3‑methyl pentanoic acid (C-H) and 2‑[(4‑chlorobenzoyl) amino] 3‑methyl pentanoic acid (C-Cl) were synthesized via Schotten-Baumann method. Afterward, dealing with improving electrochemical properties of the poly ortho aminophenol (POAP), we fabricated POAP/C-Me, POAP/C-H and POAP/C-Cl films through electro-polymerization of POAP by employing of N ‑benzoyl derivatives of isoleucine to consider as the active electrode for SCs. Based on the electronic wave function (DFT-method), the local intramolecular the electron density and its Laplacian, corresponding to atomic electronic kinetic energy, and molecular virial forces (in the molecular planes) of the molecular system is studied in this work calculated. Analysis of these results show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures and electron donating group on the N ‑benzoyl derivatives has main important effect rather than electron withdrawing group. Based on electrochemical analyzing of POAP/C-Me, the specific capacitance, retention capacity and cycle stability as desirable factors in electrochemical SCs, exhibited more improved performances than electron withdrawing group in POAP/C-Cl film. According to electrochemical and quantum chemical evaluation, C-Me has improvement effect on electrochemical performance of POAP/C-Me electroactive film. This study reveals that POAP/C-Me with high fractal dimension, high specific capacitance and long cycle-life is suitable for application in energy storage materials. Graphical abstract Unlabelled Image Highlights • Developing a simple and green route for synthesis of composite of conductive polymer • A comparative study was carried out on three compounds of amino acid derivative using DFT and electrochemical techniques. • Presenting a novel and efficient composite materials for electrochemical redox capacitors [ABSTRACT FROM AUTHOR]

In present work, GO-hexamethylene tributylammonium iodide (GO-HMA-TBAI) was synthesized via chemical routes. The structural and valance state of the prepared samples was characterized by X-ray diffraction, X-ray photoelectron spectroscopy. For improving the electrochemical performance of conductive polymer, poly ortho aminophenol (POAP)/ GO-HMA-TBAI composite films have been fabricated by POAP electropolymerization in the presence of GO-HMA-TBAI as active electrodes for electrochemical supercapacitors. Different electrochemical methods including galvanostatic charge discharge experiments, cyclic voltammetry and electrochemical impedance spectroscopy have been applied to study the system performance. The supercapacity behavior of the composite film was attributed to the high active surface area, high conductivity of the composite film and synergism effect between conductive polymer and GO-HMA-TBAI. [ABSTRACT FROM AUTHOR]

In present work, for improving the electrochemical performance of conductive polymer, poly ortho aminophenol (POAP)/1-Butyl-3-methylimidazolium Chloride, [bmim]Cl composite films have been fabricated by POAP electropolymerization in the presence of [bmim]Cl as active electrodes for electrochemical supercapacitors. Different electrochemical methods including galvanostatic charge discharge experiments, cyclic voltammetry and electrochemical impedance spectroscopy have been applied to study the system performance. Analysis of DFT-B3LYP/6-31G∗ computational results, and AIM (atom-in-molecule) theory calculations, show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures (and thus their variation with the external bias in real nano-electrochemical circuits). The supercapacity behavior of the composite film was attributed to the (i) high active surface area of the composite, (ii) charge transfer along the polymer chain due to the conjugation form of the polymer and finally (iii) synergism effect between conductive polymer and [bmim]Cl. [ABSTRACT FROM AUTHOR]

In the present work, zeolitic imidazolate framework (ZIF-67) was synthesized via chemical routes. For improving the electrochemical performance of the conductive polymer, POAP/ /ZIF-67 composite films were fabricated by POAP electropolymerization in the presence of ZIF-67 as active electrodes for electrochemical supercapacitors. The structural and the valance states of the prepared samples were characterized by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). Different electrochemical methods, including galvanostatic charge discharge experiments, cyclic voltammetry, and electrochemical impedance spectroscopy, have been applied to study the system performance. The supercapacitive behavior of the composite film was attributed to the (i) high active surface area of the composite, the (ii) charge transfer along the polymer chain due to the conjugation form of the polymer, and finally, the (iii) synergism effect between the conductive polymer and ZIF-67. [ABSTRACT FROM AUTHOR]

In present work, RGO/IL-Cr composites were synthesized via chemical routes. The structural and valance state of the prepared samples was characterized by X-ray diffraction, X-ray photoelectron spectroscopy. For improving the electrochemical performance of conductive polymer, POAP/RGO/IL-Cr composite films have been fabricated by POAP electropolymerization in the presence of RGO/IL-Cr as active electrodes for electrochemical supercapacitors. Different electrochemical methods including galvanostatic charge discharge experiments, cyclic voltammetry and electrochemical impedance spectroscopy have been applied to study the system performance. The supercapacity behavior of the composite film was attributed to the i) high active surface area of the composite, ii) charge transfer along the polymer chain due to the conjugation form of the polymer and finally iii) synergism effect between conductive polymer and RGO/IL-Cr. [ABSTRACT FROM AUTHOR]

In present work, for improving the electrochemical performance of conductive polymer, POAP/1-octadecyl-3-methylimidazolium Bromide ([OMD]Br) composite films have been fabricated by POAP electropolymerization in the presence of [OMD]Br as active electrodes for electrochemical supercapacitors. Different electrochemical methods including galvanostatic charge discharge experiments, cyclic voltammetry and electrochemical impedance spectroscopy have been applied to study the system performance. Analyses of DFT results show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures (and thus their variation with the external bias in real nano-electrochemical circuits). The supercapacity behavior of the composite film was attributed to the (i) high active surface area of the composite, (ii) charge transfer along the polymer chain due to the conjugation form of the polymer and finally (iii) synergism effect between conductive polymer and [OMD]Br. [ABSTRACT FROM AUTHOR]

In present work, for improving the electrochemical performance of conductive polymer, POAP/3-methyl-1-[2-(2-{2-[2-[(3-methyl-1- H -imidazol-3-ium-1-yl)ethoxy]ethoxy}-ethoxy)ethyl]-1- H -imidazol-3-ium dichloride (MIEID) composite films have been fabricated by poly ortho aminophenol (POAP) electropolymerization in the presence of MIEID as active electrodes for electrochemical supercapacitors. Different electrochemical methods including galvanostatic charge discharge experiments, cyclic voltammetry and electrochemical impedance spectroscopy have been applied to study the system performance. Analysis of density functional theory (DFT) results show that the atomic-scale electronic properties are generally depend on the bonding and electronic molecular structures (and thus their variation with the external bias in real nano-electrochemical circuits). Composite film kept more than 90% percent of its capacitance after 1000 charging–discharging cycles, while the coulombic efficiency ( η ) is as high as 95%. Results suggesting composite film can be used as supercapacitor electrode material with excellent specific capacitance (487 F g −1 ) which indicates this material is a promising electrode material used in high power applications. [ABSTRACT FROM AUTHOR]