Kinetic Study and Simulation of Titanium Carbide-Supported, Platinum-Doped Tetrahedral Amorphous Carbon Electrodes for Hydrogen Evolution Reaction.
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| Title: | Kinetic Study and Simulation of Titanium Carbide-Supported, Platinum-Doped Tetrahedral Amorphous Carbon Electrodes for Hydrogen Evolution Reaction. |
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| Authors: | Ramji, Harunal Rejan1,2 (AUTHOR), Glandut, Nicolas2 (AUTHOR) nicolas.glandut@unilim.fr, Orlianges, Jean-Christophe3 (AUTHOR), Absi, Joseph1,2 (AUTHOR), Lim, Soh Fong1,2 (AUTHOR) |
| Source: | Materials (1996-1944). May2025, Vol. 18 Issue 9, p1916. 16p. |
| Subjects: | Hydrogen evolution reactions, Surface diffusion, Carbon electrodes, Titanium carbide, Finite element method |
| Abstract: | This paper presents the kinetic study of titanium carbide (TiC)-supported, platinum-doped tetrahedral amorphous carbon (taC:Pt) referred to as TiC-taC, for the hydrogen evolution reaction (HER). This study employs the Volmer–Heyrovsky–Tafel (VHT) mechanism. A theoretical approach was utilized to investigate the kinetic properties of these materials for an HER in 0.5 M H2SO4. TiC-taC exhibited Volmer-dominated reactions with a Tafel slope of 40 mV/dec and the overpotential at 10 mA/cm2 was 185 mV. In contrast, isolated TiC and taC:Pt recorded significantly higher Tafel slopes with 60–110 mV/dec and overpotentials of 871 mV and 1009 mV, respectively. The developed model was tested in one dimension (1D) for individual TiC and taC:Pt. The simulated kinetics parameters were determined for both TiC and taC:Pt, revealing that TiC follows the VHT steps, while taC:Pt follows the VH steps. The simulation results show excellent coherence with the experimental results. Further simulation of the hybrid TiC-taC electrocatalyst was conducted considering surface diffusion and edge effects in two (2D) and three dimensions (3D). To the best of our knowledge, this FEM simulation approach is the first to be reported due to the unique geometry of the TiC-taC catalyst enabling the assumption of surface diffusion and edge effect. The introduction of edge effects on the taC:Pt side of the TiC support significantly enhanced the current output, aligning closely with experimental results. The edge exhibited distinct kinetic properties compared to both TiC and taC:Pt. The kinetic parameters determined from the simulation demonstrated strong agreement with experimental findings. Adding the edge effects was essential to explaining the higher current output from the TiC-taC electrode. It exhibited unique kinetic properties not observed in either TiC or taC:Pt alone, acting as a pump where it absorbs cHs from neighbouring sites due to surface diffusivity and releases H2 via the Heyrovsky reaction. While surface diffusion had a lesser effect, the simulation indicated its positive influence on the HER. [ABSTRACT FROM AUTHOR] |
| Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
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| Header | DbId: egs DbLabel: Engineering Source An: 185131471 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Kinetic Study and Simulation of Titanium Carbide-Supported, Platinum-Doped Tetrahedral Amorphous Carbon Electrodes for Hydrogen Evolution Reaction. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Ramji%2C+Harunal+Rejan%22">Ramji, Harunal Rejan</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Glandut%2C+Nicolas%22">Glandut, Nicolas</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> nicolas.glandut@unilim.fr</i><br /><searchLink fieldCode="AR" term="%22Orlianges%2C+Jean-Christophe%22">Orlianges, Jean-Christophe</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Absi%2C+Joseph%22">Absi, Joseph</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lim%2C+Soh+Fong%22">Lim, Soh Fong</searchLink><relatesTo>1,2</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. May2025, Vol. 18 Issue 9, p1916. 16p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Hydrogen+evolution+reactions%22">Hydrogen evolution reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Surface+diffusion%22">Surface diffusion</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+electrodes%22">Carbon electrodes</searchLink><br /><searchLink fieldCode="DE" term="%22Titanium+carbide%22">Titanium carbide</searchLink><br /><searchLink fieldCode="DE" term="%22Finite+element+method%22">Finite element method</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: This paper presents the kinetic study of titanium carbide (TiC)-supported, platinum-doped tetrahedral amorphous carbon (taC:Pt) referred to as TiC-taC, for the hydrogen evolution reaction (HER). This study employs the Volmer–Heyrovsky–Tafel (VHT) mechanism. A theoretical approach was utilized to investigate the kinetic properties of these materials for an HER in 0.5 M H2SO4. TiC-taC exhibited Volmer-dominated reactions with a Tafel slope of 40 mV/dec and the overpotential at 10 mA/cm2 was 185 mV. In contrast, isolated TiC and taC:Pt recorded significantly higher Tafel slopes with 60–110 mV/dec and overpotentials of 871 mV and 1009 mV, respectively. The developed model was tested in one dimension (1D) for individual TiC and taC:Pt. The simulated kinetics parameters were determined for both TiC and taC:Pt, revealing that TiC follows the VHT steps, while taC:Pt follows the VH steps. The simulation results show excellent coherence with the experimental results. Further simulation of the hybrid TiC-taC electrocatalyst was conducted considering surface diffusion and edge effects in two (2D) and three dimensions (3D). To the best of our knowledge, this FEM simulation approach is the first to be reported due to the unique geometry of the TiC-taC catalyst enabling the assumption of surface diffusion and edge effect. The introduction of edge effects on the taC:Pt side of the TiC support significantly enhanced the current output, aligning closely with experimental results. The edge exhibited distinct kinetic properties compared to both TiC and taC:Pt. The kinetic parameters determined from the simulation demonstrated strong agreement with experimental findings. Adding the edge effects was essential to explaining the higher current output from the TiC-taC electrode. It exhibited unique kinetic properties not observed in either TiC or taC:Pt alone, acting as a pump where it absorbs cHs from neighbouring sites due to surface diffusivity and releases H2 via the Heyrovsky reaction. While surface diffusion had a lesser effect, the simulation indicated its positive influence on the HER. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/ma18091916 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 16 StartPage: 1916 Subjects: – SubjectFull: Hydrogen evolution reactions Type: general – SubjectFull: Surface diffusion Type: general – SubjectFull: Carbon electrodes Type: general – SubjectFull: Titanium carbide Type: general – SubjectFull: Finite element method Type: general Titles: – TitleFull: Kinetic Study and Simulation of Titanium Carbide-Supported, Platinum-Doped Tetrahedral Amorphous Carbon Electrodes for Hydrogen Evolution Reaction. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ramji, Harunal Rejan – PersonEntity: Name: NameFull: Glandut, Nicolas – PersonEntity: Name: NameFull: Orlianges, Jean-Christophe – PersonEntity: Name: NameFull: Absi, Joseph – PersonEntity: Name: NameFull: Lim, Soh Fong IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 05 Text: May2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 19961944 Numbering: – Type: volume Value: 18 – Type: issue Value: 9 Titles: – TitleFull: Materials (1996-1944) Type: main |
| ResultId | 1 |
