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: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute of Advanced Engineering and Science (IAES) in collaboration with Intelektual Pustaka Media Utama (IPMU).
2024
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| Subjects: | |
| 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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| Summary: | 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. |
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