Electrochemical measurements and theoretical studies for understanding the behavior of catechol, resorcinol and hydroquinone on the boron doped diamond surface

Silva, Ámison Rick Lopes da; Santos, Alexsandro J. dos; Martínez‐Huitle, Carlos A.

doi:10.1039/c7ra12257h

Cited by 57 publications

(21 citation statements)

References 51 publications

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“…In this way, the geometric optimization of structures calculations and the frontier orbitals were estimated in vacuum by using the package Orca [20] using calculations of DFT [36][37][38] hybrid functional B3LYP [21][22][23] and basis set 6-31G [23][24][25][26] and (2d,2p) [27][28][29][30]. To do that, the use of DFT is possible to investigate the contribution of the frontier orbitals on the electrochemical behavior of chemical species [39,40], even when it is necessary to evaluate the applications and limitations of these studies. The most energetic electrons are localized in frontier orbitals (see, Fig.…”

Section: Theoretical Chemistry Study: Dftmentioning

confidence: 99%

Understanding the electrochemical oxidation of dyes on platinum and boron–doped diamond electrode surfaces: experimental and computational study

Soares

Silva

Santos

et al. 2020

J Solid State Electrochem

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Anodic oxidation (AO) approach proceeds via direct and indirect electrochemical pathways and their subsequent reactions. The interest to elucidate the mechanisms for removing dyes from water contributes to the understanding of more complex reactions involving organic pollutants towards anode surfaces. The present study was motivated by the reports that promote the use of AO for removing different organic compounds but no considerations about the influence of different functional groups in their structure have been discussed. Therefore, we have evaluated the influence of different functional groups in the dye structure (Reactive Orange 16, Reactive Violet 4, Reactive Red 228, and Reactive Black 5) by potentiodynamic measurements and by computational analyzes using density functional theory (DFT). The computational studies have allowed to carry out morphological studies on the frontier orbitals where the electrons are more energetic and then, the electron-transfer to electrode surface is achieved, which was associated to the electrochemical measurements (current-potential profiles). Also, the theoretical studies were used to understand the bulk electrolysis, in terms of mineralization. The results clearly demonstrate that organic molecules can be degraded in different way and level due to the oxidants electrochemically generated as well as the interaction of dyes with anode surface by adsorbed/non-adsorbed intermediates. Conversely, the decolorization mechanisms, which are related to the fragmentation of chromophore group, are associated to the direct AO approach, favoring different order of elimination, as already reported in our previous work. The results were discussed in light of the existing literature.

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Section: Theoretical Chemistry Study: Dftmentioning

confidence: 99%

Understanding the electrochemical oxidation of dyes on platinum and boron–doped diamond electrode surfaces: experimental and computational study

Soares

Silva

Santos

et al. 2020

J Solid State Electrochem

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“…Glassy carbon electrode (GCE) modified by ferrocene-Nafion, CNTs 27 , 28 , mesoporous carbon 29 – 31 , diamond doped by boron 31 , 32 , nanodiamond 33 , graphene, graphene aerogel 34 , carbon black 35 and carbon dots 36 have been previously employed as modifiers for different analytes e.g. phenolic compounds including catechol and hydroquinone detection etc.…”

Section: Introductionmentioning

confidence: 99%

Supramolecular assemblies of carbon nanocoils and tetraphenylporphyrin derivatives for sensing of catechol and hydroquinone in aqueous solution

Bukhari

Nasir

Pan

et al. 2021

Sci Rep

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Non-enzymatic electrochemical detection of catechol (CC) and hydroquinone (HQ), the xenobiotic pollutants, was carried out at the surface of novel carbon nanocoils/zinc-tetraphenylporphyrin (CNCs/Zn-TPP) nanocomposite supported on glassy carbon electrode. The synergistic effect of chemoresponsive activity of Zn-TPP and a large surface area and electron transfer ability of CNCs lead to efficient detection of CC and HQ. The nanocomposite was characterized by using FT-IR, UV/vis. spectrophotometer, SEM and energy dispersive X-ray spectroscopy (EDS). Cyclic voltammetry, differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy were used for the electrochemical studies. CNCs/Zn-TPP/GCE nanosensor displayed a limit of detection (LOD), limit of quantification (LOQ) and sensitivity for catechol as 0.9 µM, 3.1 µM and 0.48 µA µM−1 cm−2, respectively in a concentration range of 25–1500 µM. Similarly, a linear trend in the concentration of hydroquinone detection was observed between 25 and 1500 µM with an LOD, LOQ and sensitivity of 1.5 µM, 5.1 µM and 0.35 µA µM−1 cm−2, respectively. DPV of binary mixture pictured well resolved peaks with anodic peak potential difference, ∆Epa(CC-HQ), of 110 mV showing efficient sensing of CC and HQ. The developed nanosensor exhibits stability for up to 30 days, better selectivity and good repeatability for eight measurements (4.5% for CC and 5.4% for HQ).

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“…As a fuel for DFC, hydrogen carrier molecules hydrogenated by surplus renewable energies have been examined to use in energy storage and supply systems. In previous researches, many molecules such as methylcyclohexane, 17,20,21 ammonia, 7,8 sorbitol, 13 hydroquinone derivatives, [22][23][24][25][26][27][28] were tested as fuels. Among these molecules, methyl cyclohexane and ammonia have been intensively investigated, because they have high energy density and liquid state at room temperature.…”

Section: Introductionmentioning

confidence: 99%

“…However, activity [24][25][26] of anode catalysts, where a fuel is electrochemically oxidized, is inadequate for carbonaceous electrodes such as glassy carbon. While high electro-oxidation activity for hydroquinone on a boron-doped diamond electrode was reported, 22,23 cost of the electrode is insufficient for commercial application. To improve the efficiency and cost of DFC for practical applications, development of the catalytic activity of anode is an important topic.…”

Section: Introductionmentioning

confidence: 99%

“…24,25,28,29 High catalytic activity of boron-doped diamond for the electrooxidation of hydroquinone has already been reported. 22,23 However, because of a few researches for the electro-oxidation of hydroquinones, heteroatom-doped graphene has not been employed as a catalyst of hydroquinone oxidation. In addition, while functional groups-modified quinone ring is related to an equivalent potential of redox reaction and crucial to increase output voltage as a fuel, the effect of chemical structure on its electrocatalytic reaction is still obscure.…”

Section: Introductionmentioning

confidence: 99%

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Electrocatalytic Activity of Heteroatom-Doped Graphene for Oxidation of Hydroquinones

et al. 2020

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In the present study, we aim to synthesize heteroatom (nitrogen or boron) doped-reduced graphene oxide (N-rGO or B-rGO) as a catalyst for the electro-oxidation of hydroquinones, used as a candidate of fuel (hydrogen carrier molecule) for direct-type fuel cells (DFCs), and evaluate the doping effect on its catalytic activity. N-rGO and B-rGO were prepared from a mixture of graphene oxide (GO) and urea or boron trioxide by pyrolysis method. We characterized the morphology and crystal structure of the prepared materials by transmission electron microscopy, and X-ray diffraction, respectively. Energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy show the loading amount of the heteroatoms, 10.4 wt% N and 2.9 wt% B, as well as their chemical nature. The electrochemical analysis of the prepared materials by rotating disk electrode system reveals high activity of B-rGO, 15 and 85 mV lower overvoltage compared with rGO at the half-wave potential of diffusion-limited current, for the electro-oxidation of hydroquinone and methyl-hydroquinone, respectively, because of its electron-accepting nature. We demonstrate that thus modified carbons exhibit high activity, B-rGO > N-rGO > rGO, for the oxidation of hydroquinone derivatives as non-metallic anodes of DFCs.

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Electrochemical measurements and theoretical studies for understanding the behavior of catechol, resorcinol and hydroquinone on the boron doped diamond surface

Abstract: Using electrochemical techniques it was possible to study the behavior of hydroquinone, catechol and resorcinol, at boron doped diamond surface in aqueous solutions as well as to associate the electrochemical profiles with computational simulations.

Cited by 57 publications

References 51 publications

Understanding the electrochemical oxidation of dyes on platinum and boron–doped diamond electrode surfaces: experimental and computational study

Understanding the electrochemical oxidation of dyes on platinum and boron–doped diamond electrode surfaces: experimental and computational study

Supramolecular assemblies of carbon nanocoils and tetraphenylporphyrin derivatives for sensing of catechol and hydroquinone in aqueous solution

Electrocatalytic Activity of Heteroatom-Doped Graphene for Oxidation of Hydroquinones

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