Skoči na glavni sadržaj

Journal of Electrochemical Science and Engineering, Vol. 12 No. 5, 2022.

Izvorni znanstveni članak

https://doi.org/10.5599/jese.1438

Pre/post electron transfer regioselectivity at glycine modified graphene electrode interface for voltammetric sensing applications

Gururaj Kudur Jayaprakash orcid id orcid.org/0000-0003-0681-7815 ; Laboratory of Quantum Electrochemistry, School of Advanced Chemical Sciences, Shoolini University, Bajhol, Himachal Pradesh, 173229, India
Roberto Flores-Moreno orcid id orcid.org/0000-0001-5060-1363 ; Departamento de Química, Universidad Guadalajara,Blvd. Marcelino García Barragán 1421, Guadalajara, Jalisco, C.P. 44430, México
Bahaddurghatta Eshwaraswamy Kumara Swamy ; Department of P.G. Studies and Research in Industrial Chemistry, Kuvempu University, Shankaraghatta -577451, Shimoga, Karnataka, India
Kaustubha Mohanty ; Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati, 781039, India
Pravesh Dhiman orcid id orcid.org/0000-0002-2490-6240 ; Medical Oncology Cell, Department of Radiotherapy and Oncology, IGMC, Shimla, 171001, Himachal Pradesh, India

Puni tekst: engleski pdf 453 Kb

str. 1001-1008

preuzimanja: 110

citiraj

Sažetak

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.

Ključne riječi

Redox reaction; density functional theory; frontier molecular orbitals; Fukui analysis

Hrčak ID:

284476

URI

https://hrcak.srce.hr/284476

Datum izdavanja:

14.10.2022.

Posjeta: 363 *