Experimental and theoretical electro-oxidation of methanol on polyaniline modified by nickel nanoparticles

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Soleimani Lashkenari Mohammad; KHAKPOUR REZA; FALLAH JABER

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Journal: Journal of Applied Research in Chemistry Year:2020 | Volume:14 | Issue:1 Page(s): 109-125

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Information Journal Paper

Title

Experimental and theoretical electro-oxidation of methanol on polyaniline modified by nickel nanoparticles

Author(s)

Soleimani Lashkenari Mohammad | KHAKPOUR REZA | FALLAH JABER | Issue Writer Certificate

Keywords

PolyanilineQ1

NickelQ2

ElectrocatalystQ1

MethanolQ2

Density functional theoryQ1

Abstract

In this study, Polyaniline was formed by voltammetric cycles in an acidic environment on a glassy carbon electrode surface. Subsequently, Nickel ions were placed on the Polyaniline surface by immersing the electrode in a Nickel solution. By applying voltammetric cycles in the range of 0 to 1 volt, Nickel was formed on the surface of Polyaniline. Then, by using cyclic voltammetric and chronoamperometry techniques, electrocatalytic properties of the modified electrode were studied for Methanol oxidation. In addition, the performance of the Polyaniline/Nickel electrode was evaluated using the Density functional theory method. The results of the cyclic voltammetric test showed that with increasing the scan rate, the current density of anodic peak increased, and also the chronoamperometry test showed that the Polyaniline/Nickel had a good stability over time. In a computational study, using the energy of Methanol absorption on three different positions of Polyaniline/Nickel, it was determined that the best position for Methanol adsorption was the position of M1, which had the least adsorption energy and the most stable state. The results of the reaction path analysis showed that the best pathway with the lowest activation energy was the separation of the first hydrogen atom from the oxygen in the Methanol.

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APA: Copy

Soleimani Lashkenari, Mohammad, KHAKPOUR, REZA, & FALLAH, JABER. (2020). Experimental and theoretical electro-oxidation of methanol on polyaniline modified by nickel nanoparticles. JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC), 14(1 ), 109-125. SID. https://sid.ir/paper/411473/en

Vancouver: Copy

Soleimani Lashkenari Mohammad, KHAKPOUR REZA, FALLAH JABER. Experimental and theoretical electro-oxidation of methanol on polyaniline modified by nickel nanoparticles. JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC)[Internet]. 2020;14(1 ):109-125. Available from: https://sid.ir/paper/411473/en

IEEE: Copy

Mohammad Soleimani Lashkenari, REZA KHAKPOUR, and JABER FALLAH, “Experimental and theoretical electro-oxidation of methanol on polyaniline modified by nickel nanoparticles,” JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC), vol. 14, no. 1 , pp. 109–125, 2020, [Online]. Available: https://sid.ir/paper/411473/en

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