Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications
In the last few years, glycine (GL) showed good experimental evidence as an electron transfer (ET) mediator at the carbon (in particular graphene (GR)) interface. However, ET properties of GL modified GR interface are still not known completely. These can be achieved using density functional theory...
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| Language: | English |
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International Association of Physical Chemists (IAPC)
2022-08-01
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| Series: | Journal of Electrochemical Science and Engineering |
| Subjects: | |
| Online Access: | https://www.pub.iapchem.org/ojs/index.php/JESE/article/view/1438 |
| _version_ | 1828321062640680960 |
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| author | Gururaj Kudur Jayaprakash Roberto Flores-Moreno Bahaddurghatta Eshwaraswamy Kumara Swamy Kaustubha Mohanty Pravesh Dhiman |
| author_facet | Gururaj Kudur Jayaprakash Roberto Flores-Moreno Bahaddurghatta Eshwaraswamy Kumara Swamy Kaustubha Mohanty Pravesh Dhiman |
| author_sort | Gururaj Kudur Jayaprakash |
| collection | DOAJ |
| description |
In the last few years, glycine (GL) showed good experimental evidence as an electron transfer (ET) mediator at the carbon (in particular graphene (GR)) interface. However, ET properties of GL modified GR interface are still not known completely. These can be achieved using density functional theory-based models. Modelling of modified carbon electrode interfaces is essential in electroanalytical chemistry to get insights into their electronic and redox properties. Here we have modelled glycine modified graphene interface to find out its interfacial redox ET properties. Conceptual density functional theory concepts like frontier molecular orbital (FMO) theory and analytical Fukui functions were utilized to predict the ET sites on the modified graphene surface. It is shown that at the glycine-modified graphene interface, amine groups act as additional oxidation sites and carboxylic acid groups as additional reduction sites. Therefore, glycine acts as an ET mediator at the graphene-based electrode interface. The obtained results are well supported by previously published experimental reports.
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| first_indexed | 2024-04-13T18:20:46Z |
| format | Article |
| id | doaj.art-53891fa6902447b0a6cbec4e6e116405 |
| institution | Directory Open Access Journal |
| issn | 1847-9286 |
| language | English |
| last_indexed | 2024-04-13T18:20:46Z |
| publishDate | 2022-08-01 |
| publisher | International Association of Physical Chemists (IAPC) |
| record_format | Article |
| series | Journal of Electrochemical Science and Engineering |
| spelling | doaj.art-53891fa6902447b0a6cbec4e6e1164052022-12-22T02:35:28ZengInternational Association of Physical Chemists (IAPC)Journal of Electrochemical Science and Engineering1847-92862022-08-0110.5599/jese.1438Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applicationsGururaj Kudur Jayaprakash0Roberto Flores-Moreno1Bahaddurghatta Eshwaraswamy Kumara Swamy2Kaustubha Mohanty3Pravesh Dhiman4Laboratory of Quantum Electrochemistry, School of Advanced Chemical Sciences, Shoolini University, Bajhol, Himachal Pradesh, 173229, India and Department of Chemistry, Nitte Meenakshi Institute of Technology, Bangalore, Karnataka, 560064, IndiaDepartamento de Química, Universidad Guadalajara,Blvd. Marcelino García Barragán 1421, Guadalajara, Jalisco, C.P. 44430, México Department of P.G. Studies and Research in Industrial Chemistry, Kuvempu University, Shankaraghatta -577451, Shimoga, Karnataka, IndiaDepartment of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati, 781039, India Medical Oncology Cell, Department of Radiotherapy and Oncology, IGMC, Shimla, 171001, Himachal Pradesh, India In the last few years, glycine (GL) showed good experimental evidence as an electron transfer (ET) mediator at the carbon (in particular graphene (GR)) interface. However, ET properties of GL modified GR interface are still not known completely. These can be achieved using density functional theory-based models. Modelling of modified carbon electrode interfaces is essential in electroanalytical chemistry to get insights into their electronic and redox properties. Here we have modelled glycine modified graphene interface to find out its interfacial redox ET properties. Conceptual density functional theory concepts like frontier molecular orbital (FMO) theory and analytical Fukui functions were utilized to predict the ET sites on the modified graphene surface. It is shown that at the glycine-modified graphene interface, amine groups act as additional oxidation sites and carboxylic acid groups as additional reduction sites. Therefore, glycine acts as an ET mediator at the graphene-based electrode interface. The obtained results are well supported by previously published experimental reports. https://www.pub.iapchem.org/ojs/index.php/JESE/article/view/1438Redox reactiondensity functional theoryfrontier molecular orbitalsFukui analysis |
| spellingShingle | Gururaj Kudur Jayaprakash Roberto Flores-Moreno Bahaddurghatta Eshwaraswamy Kumara Swamy Kaustubha Mohanty Pravesh Dhiman Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications Journal of Electrochemical Science and Engineering Redox reaction density functional theory frontier molecular orbitals Fukui analysis |
| title | Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| title_full | Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| title_fullStr | Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| title_full_unstemmed | Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| title_short | Pre-post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| title_sort | pre post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications |
| topic | Redox reaction density functional theory frontier molecular orbitals Fukui analysis |
| url | https://www.pub.iapchem.org/ojs/index.php/JESE/article/view/1438 |
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