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Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory
The full potential of Fe(3)O(4) for supercapacitor applications can be achieved by addressing challenges in colloidal fabrication of high active mass electrodes. Exceptional adsorption properties of catecholate-type 3,4-dihydroxybenzoic acid (DHBA) molecules are explored for surface modification of...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9964791/ https://www.ncbi.nlm.nih.gov/pubmed/36838550 http://dx.doi.org/10.3390/molecules28041562 |
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author | Boucher, Coulton Rubel, Oleg Zhitomirsky, Igor |
author_facet | Boucher, Coulton Rubel, Oleg Zhitomirsky, Igor |
author_sort | Boucher, Coulton |
collection | PubMed |
description | The full potential of Fe(3)O(4) for supercapacitor applications can be achieved by addressing challenges in colloidal fabrication of high active mass electrodes. Exceptional adsorption properties of catecholate-type 3,4-dihydroxybenzoic acid (DHBA) molecules are explored for surface modification of Fe(3)O(4) nanoparticles to enhance their colloidal dispersion as verified by sedimentation test results and Fourier-transform infrared spectroscopy measurements. Electrodes prepared in the presence of DHBA show nearly double capacitance at slow charging rates as compared to the control samples without the dispersant or with benzoic acid as a non-catecholate dispersant. Such electrodes with active mass of 40 mg cm(−2) show a capacitance of 4.59 F cm(−2) from cyclic voltammetry data at a scan rate of 2 mV s(−1) and 4.72 F cm(−2) from galvanostatic charge–discharge data at a current density of 3 mA cm(−2). Experimental results are corroborated by density functional theory (DFT) analysis of adsorption behaviour of DHBA and benzoic acid at the (001) surface of Fe(3)O(4). The strongest adsorption energy (ca. −1.8 eV per molecule) is due to the catechol group of DHBA. DFT analysis provides understanding of the basic mechanism of DHBA adsorption on the surface of nanoparticles and opens the way for fabrication of electrodes with high capacitance. |
format | Online Article Text |
id | pubmed-9964791 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-99647912023-02-26 Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory Boucher, Coulton Rubel, Oleg Zhitomirsky, Igor Molecules Article The full potential of Fe(3)O(4) for supercapacitor applications can be achieved by addressing challenges in colloidal fabrication of high active mass electrodes. Exceptional adsorption properties of catecholate-type 3,4-dihydroxybenzoic acid (DHBA) molecules are explored for surface modification of Fe(3)O(4) nanoparticles to enhance their colloidal dispersion as verified by sedimentation test results and Fourier-transform infrared spectroscopy measurements. Electrodes prepared in the presence of DHBA show nearly double capacitance at slow charging rates as compared to the control samples without the dispersant or with benzoic acid as a non-catecholate dispersant. Such electrodes with active mass of 40 mg cm(−2) show a capacitance of 4.59 F cm(−2) from cyclic voltammetry data at a scan rate of 2 mV s(−1) and 4.72 F cm(−2) from galvanostatic charge–discharge data at a current density of 3 mA cm(−2). Experimental results are corroborated by density functional theory (DFT) analysis of adsorption behaviour of DHBA and benzoic acid at the (001) surface of Fe(3)O(4). The strongest adsorption energy (ca. −1.8 eV per molecule) is due to the catechol group of DHBA. DFT analysis provides understanding of the basic mechanism of DHBA adsorption on the surface of nanoparticles and opens the way for fabrication of electrodes with high capacitance. MDPI 2023-02-06 /pmc/articles/PMC9964791/ /pubmed/36838550 http://dx.doi.org/10.3390/molecules28041562 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Boucher, Coulton Rubel, Oleg Zhitomirsky, Igor Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title | Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title_full | Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title_fullStr | Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title_full_unstemmed | Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title_short | Supercapacitor Performance of Magnetite Nanoparticles Enhanced by a Catecholate Dispersant: Experiment and Theory |
title_sort | supercapacitor performance of magnetite nanoparticles enhanced by a catecholate dispersant: experiment and theory |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9964791/ https://www.ncbi.nlm.nih.gov/pubmed/36838550 http://dx.doi.org/10.3390/molecules28041562 |
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