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Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction

This paper presented the kinetic study of molybdenum borides via the Volmer-Heyrovsky-Tafel (V-H-T) mechanistic steps for hydrogen evolution reaction (HER). A theoretical approach was carried out to investigate the kinetic properties of several molybdenum boride materials for HER in 0.5 M H2SO4. Ou...

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Main Authors: Harunal Rejan, Ramji, Muhammad Qhaliff, Zainal Ibidin, Nicolas, Glandut, Joseph, Absi, Lim, Soh Fong
Format: Article
Language:English
Published: Institute of Advanced Engineering and Science (IAES) in collaboration with Intelektual Pustaka Media Utama (IPMU). 2024
Subjects:
TP Chemical technology
Online Access:http://ir.unimas.my/id/eprint/45689/1/Kinetic%20study.pdf
http://ir.unimas.my/id/eprint/45689/
https://ijaas.iaescore.com/index.php/IJAAS/article/view/21210
http://doi.org/10.11591/ijaas.v13.i3.pp698-706
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spelling my.unimas.ir.456892024-08-19T02:15:26Z http://ir.unimas.my/id/eprint/45689/ Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction Harunal Rejan, Ramji Muhammad Qhaliff, Zainal Ibidin Nicolas, Glandut Joseph, Absi Lim, Soh Fong TP Chemical technology This paper presented the kinetic study of molybdenum borides via the Volmer-Heyrovsky-Tafel (V-H-T) mechanistic steps for hydrogen evolution reaction (HER). A theoretical approach was carried out to investigate the kinetic properties of several molybdenum boride materials for HER in 0.5 M H2SO4. Our findings offer definitive proof that the simulated results show that B, Mo, Mo2B, and α-MoB, proceed through V-H mechanistic steps (slower kinetics) while β-MoB and MoB2 exhibit V-H-T mechanistic steps with higher kinetics. The kinetic parameters were determined in terms of the standard rate constant parameters for the Volmer step (kV, k-V), Heyrovsky step (kH, k-H), and rate constant for the Tafel step (kT, k-T). The simulation was able to predict the overpotential at 10 mA/cm2, η10 recorded at approximately 780, 585, 480, 350, 310, and 300 mV for B, Mo, Mo2B, αMoB, β-MoB, and MoB2 respectively. Based on these findings, the adopted mathematical model shows good coherency to the experimental findings. The simulation work provides a good numerical estimation of the characteristics of the electrocatalyst for HER. This paper successfully elucidated the reaction mechanisms (V-H-T steps) and understood the ratelimiting steps involved in the HER process on Mo-B materials. Institute of Advanced Engineering and Science (IAES) in collaboration with Intelektual Pustaka Media Utama (IPMU). 2024 Article PeerReviewed text en http://ir.unimas.my/id/eprint/45689/1/Kinetic%20study.pdf Harunal Rejan, Ramji and Muhammad Qhaliff, Zainal Ibidin and Nicolas, Glandut and Joseph, Absi and Lim, Soh Fong (2024) Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction. International Journal of Advances in Applied Sciences (IJAAS), 13 (3). pp. 698-706. ISSN 2252-8814 https://ijaas.iaescore.com/index.php/IJAAS/article/view/21210 http://doi.org/10.11591/ijaas.v13.i3.pp698-706
institution Universiti Malaysia Sarawak
building Centre for Academic Information Services (CAIS)
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Sarawak
content_source UNIMAS Institutional Repository
url_provider http://ir.unimas.my/
language English
topic TP Chemical technology
spellingShingle TP Chemical technology
Harunal Rejan, Ramji
Muhammad Qhaliff, Zainal Ibidin
Nicolas, Glandut
Joseph, Absi
Lim, Soh Fong
Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
description This paper presented the kinetic study of molybdenum borides via the Volmer-Heyrovsky-Tafel (V-H-T) mechanistic steps for hydrogen evolution reaction (HER). A theoretical approach was carried out to investigate the kinetic properties of several molybdenum boride materials for HER in 0.5 M H2SO4. Our findings offer definitive proof that the simulated results show that B, Mo, Mo2B, and α-MoB, proceed through V-H mechanistic steps (slower kinetics) while β-MoB and MoB2 exhibit V-H-T mechanistic steps with higher kinetics. The kinetic parameters were determined in terms of the standard rate constant parameters for the Volmer step (kV, k-V), Heyrovsky step (kH, k-H), and rate constant for the Tafel step (kT, k-T). The simulation was able to predict the overpotential at 10 mA/cm2, η10 recorded at approximately 780, 585, 480, 350, 310, and 300 mV for B, Mo, Mo2B, αMoB, β-MoB, and MoB2 respectively. Based on these findings, the adopted mathematical model shows good coherency to the experimental findings. The simulation work provides a good numerical estimation of the characteristics of the electrocatalyst for HER. This paper successfully elucidated the reaction mechanisms (V-H-T steps) and understood the ratelimiting steps involved in the HER process on Mo-B materials.
format Article
author Harunal Rejan, Ramji
Muhammad Qhaliff, Zainal Ibidin
Nicolas, Glandut
Joseph, Absi
Lim, Soh Fong
author_facet Harunal Rejan, Ramji
Muhammad Qhaliff, Zainal Ibidin
Nicolas, Glandut
Joseph, Absi
Lim, Soh Fong
author_sort Harunal Rejan, Ramji
title Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
title_short Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
title_full Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
title_fullStr Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
title_full_unstemmed Kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
title_sort kinetic study and simulation of molybdenum borides for hydrogen evolution reaction
publisher Institute of Advanced Engineering and Science (IAES) in collaboration with Intelektual Pustaka Media Utama (IPMU).
publishDate 2024
url http://ir.unimas.my/id/eprint/45689/1/Kinetic%20study.pdf
http://ir.unimas.my/id/eprint/45689/
https://ijaas.iaescore.com/index.php/IJAAS/article/view/21210
http://doi.org/10.11591/ijaas.v13.i3.pp698-706
_version_ 1808981509623775232
score 13.211869

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