Hydrogen diffusion through Ru thin films

Soroka, Olena; Sturm, Jacobus Marinus; Lee, C.J.; Schreuders, Herman; Dam, B.; Bijkerk, F.

doi:10.1016/j.ijhydene.2020.03.201

Cited by 9 publications

(18 citation statements)

References 39 publications

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“…As the exponents for Ni, Pt, and Ru are relatively low and reasonably close to 0.5, this indicates that the kinetics are largely limited by the diffusion of hydrogen through the capping layer. As such, the long response times of these materials at room temperature may not come as a complete surprise: The diffusion constant of hydrogen in Ru of 2 × 10 –19 m 2 s –1 is at room temperature about four orders of magnitude smaller than in Pd thin films. , While diffusion data on thin films of Ni are to the best of our knowledge unknown, the values reported for bulk suggest that they are of a similar order of magnitude at elevated temperature but that diffusion is at room temperature in Ni substantially slower than in Pd. − …”

Section: Resultsmentioning

confidence: 99%

Hydrogenation Kinetics of Metal Hydride Catalytic Layers

Bannenberg

Boshuizen

Nugroho

et al. 2021

ACS Appl. Mater. Interfaces

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Catalyzing capping layers on metal hydrides are employed to enhance the hydrogenation kinetics of metal hydride-based systems such as hydrogen sensors. Here, we use a novel experimental method to study the hydrogenation kinetics of catalyzing capping layers composed of several alloys of Pd and Au as well as Pt, Ni, and Ru, all with and without an additional PTFE polymer protection layer and under the same set of experimental conditions. In particular, we employ a thin Ta film as an optical indicator to study the kinetics of the catalytic layers deposited on top of it and which allows one to determine the absolute hydrogenation rates. Our results demonstrate that doping Pd with Au results in significantly faster hydrogenation kinetics, with response times up to five times shorter than Pd through enhanced diffusion and a reduction in the activation energy. On the other hand, the kinetics of non-Pd-based materials turn out to be significantly slower and mainly limited by the diffusion through the capping layer itself. Surprisingly, the additional PTFE layer was only found to improve the kinetics of Pd-based capping materials and has no significant effect on the kinetics of Pt, Ni, and Ru. Taken together, the experimental results aid in rationally choosing a suitable capping material for the application of metal hydrides and other materials in a hydrogen economy. In addition, the used method can be applied to simultaneously study the hydrogenation kinetics in thin-film materials for a wide set of experimental conditions.

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Section: Resultsmentioning

confidence: 99%

Hydrogenation Kinetics of Metal Hydride Catalytic Layers

Bannenberg

Boshuizen

Nugroho

et al. 2021

ACS Appl. Mater. Interfaces

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show abstract

“…As the exponents for Ni, Pt and Ru are relatively low and reasonably close to 0.5, this indicates that the kinetics are largely limited by the diffusion of hydrogen through the capping layer. As such, the long response times of these materials at room temperature may not come as a complete surprise: The diffusion constant of hydrogen in Ru of 2 10 −19 m 2 s −1 is at room temperature about four orders of magnitude smaller than in Pd thin films 48,49 . While diffusion data on thin films of Ni is to the best of our knowledge unknown, the values reported for bulk suggest that they are of similar order of magnitude at elevated temperature, but the diffusion is at room temperature in Ni substantially slower than in Pd [50][51][52][53] .…”

Section: B Non Pd-based Capping Layersmentioning

confidence: 99%

Hydrogenation kinetics of metal hydride catalytic layers

Bannenberg¹,

Schreuders²

2021

Preprint

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Catalyzing capping layers on top of metal hydrides are often employed to enhance the hydrogenation kinetics of metal hydride based systems such as hydrogen sensors. Here, we experimentally study the hydrogenation kinetics of capping layers composed of several alloys of Pd and Au as well as Pt, Ni and Ru, all with and without an additional PTFE protection layer using a novel method and under the same set of experimental conditions. Our results demonstrate that doping Pd with Au results in significantly faster hydrogenation kinetics, with response times up to five times shorter than Pd through enhanced diffusion and a reduction of the activation energy. The kinetics of non-Pd based materials turns out to be significantly slower and mainly limited by the diffusion through the capping layer itself. Surprisingly, the additional PTFE layer was only found to improve the kinetics of Pd-based capping materials and has no significant effect on the kinetics of Pt, Ni and Ru. Taken together, the experimental results aid in rationally choosing a suitable capping material for the application of metal hydrides and other materials in a green economy. In addition, the developed method can be used to simultaneously study the hydrogenation kinetics and determine diffusion constants in thin film materials for a wide set of experimental conditions.

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“…This is in part due to the technical challenges in detecting the hydrogen in the Ru bulk because of its low concentration. One indirect measurement of the diffusion rate of H through Ru thin films has been reported, 13 using optical changes in an yttrium hydride substrate.…”

Section: Introductionmentioning

confidence: 99%

“… 16 In hydrogen storage, the rate of hydrogenation of magnesium was shown to increase with grain size. 17 Notably, the hydrogen diffusion model in Ru in ref ( 13 ) assumes GB transport to be dominant. An atomistic view of the role of GBs in H diffusion in Ru is, however, lacking.…”

Section: Introductionmentioning

confidence: 99%

A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium–The Role of Grain Boundaries

Onwudinanti¹,

Pols²,

Brocks³

et al. 2022

J. Phys. Chem. C

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Ruthenium (Ru) thin films are used as protective caps for the multilayer mirrors in extreme ultraviolet lithography machines. When these mirrors are exposed to atomic hydrogen (H), it can permeate through Ru, leading to the formation of hydrogen-filled blisters on the mirrors. H has been shown to exhibit low solubility in bulk Ru, but the nature of H diffusion through Ru and its contribution to the mechanisms of blistering remain unknown. This work makes use of reactive molecular dynamics simulations to study the influence of imperfections in a Ru film on the behavior of H. For the Ru/H system, a ReaxFF force field which reproduces structures and energies obtained from quantum-mechanical calculations was parametrized. Molecular dynamics simulations have been performed with the newly developed force field to study the effect of tilt and twist grain boundaries on the overall diffusion behavior of H in Ru. Our simulations show that the tilt and twist grain boundaries provide energetically favorable sites for hydrogen atoms and act as sinks and highways for H. They therefore block H transport across their planes and favor diffusion along their planes. This results in the accumulation of hydrogen at the grain boundaries. The strong effect of the grain boundaries on hydrogen diffusion suggests tailoring the morphology of ruthenium thin films as a means to curb the rate of hydrogen permeation.

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Hydrogen diffusion through Ru thin films

Cited by 9 publications

References 39 publications

Hydrogenation Kinetics of Metal Hydride Catalytic Layers

Hydrogenation Kinetics of Metal Hydride Catalytic Layers

Hydrogenation kinetics of metal hydride catalytic layers

A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium–The Role of Grain Boundaries

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