Hydrogenation Kinetics of Metal Hydride Catalytic Layers

Bannenberg, Lars J.; Boshuizen, Bart; Nugroho, Ferry Anggoro Ardy; Schreuders, Herman

doi:10.1021/acsami.1c13240

Cited by 21 publications

(25 citation statements)

References 64 publications

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“…The mode of hydrogen storage on solid-state material is classified by physisorption and chemisorption processes. The former process involves hydrogen storage through weak Van der Waals and electrostatic interactions [in the case of many two-dimensional (2D) materials], − whereas the latter process involves a chemical bonding mechanism (in the case of metal hydrides). − Promising hydrogen storage materials in general should have (i) high hydrogen storage capacity and (ii) good operability conditions, that is, storage and desorption at moderate temperature and pressure. As per the United States Department of Energy (USDOE), for on-board storage applications, the hydrogen storage materials must fulfill the gravimetric density and binding energy criteria of 5.5–9.5 wt % and −0.15 to −0.60 eV/H 2 , respectively. − …”

Section: Introductionmentioning

confidence: 99%

Bilayer Heterostructure of Boron Nitride and Graphene for Hydrogen Storage: A First-Principles Study

et al. 2022

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We report the hydrogen storage properties of the bilayer h-BN/Gr heterostructure using the density functional theory calculations incorporating DFT-D2 and D3 dispersion corrections. The hydrogen molecules are adsorbed in between the two monolayers and on top of the graphene layer with a maximum gravimetric density of 5.83 wt %. The average adsorption energy per hydrogen molecules (−0.23 eV/H2) is in line with the USDOE benchmark. DFT-D3 shows an enhancement in the adsorption energy by 0.01–0.02 eV. The potentiality of the h-BN/Gr heterostructure for hydrogen storage material can be ascertained from the fact that the material can adsorb hydrogen molecules at all available sites within the binding energy limit (−0.15 to −0.60 eV/H2) without external factors such as metal decorations, electric field, or strain. The hydrogen adsorption on h-BN/Gr is highly modulated by weak van der Waals and electrostatic interactions.

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Section: Introductionmentioning

confidence: 99%

Bilayer Heterostructure of Boron Nitride and Graphene for Hydrogen Storage: A First-Principles Study

et al. 2022

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“…However, virtually no reaction has a 100% conversion rate; that is, in practice, the compounds leaving a reactor contain the sought products and in supported metal hydride thin films, as, for example, used in sensors. [11] Although we focus on a specific composite membrane, the drawn conclusions can be generalized as guidelines for future membrane development. Their relevance to hydrogen storage materials and metal hydride catalysts is evident.…”

Section: Introductionmentioning

confidence: 99%

“…[4] There has been substantial research effort in finding cheaper materials with a higher permeability than that of Pd (e.g., V, Nb, Ta, and their alloys [6][7][8][9][10] ), however, expensive Pd and Pd based alloys remain the superior membrane materials owing to their favorable surface properties. [5,11] Cheap materials such as V-based alloys will revolutionize the technology, if their surface properties can be modified to match those of Pd. Despite this rather straightforward goal, there is a knowledge gap of what these desirable surface properties are.…”

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confidence: 99%

Bulk Thermodynamics Determines Surface Hydrogen Concentration in Membranes

Billeter

Kazaz

Borgschulte

2022

Adv Materials Inter

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nonconverted reactants. In this step, hydrogen may be separated from the mixture, and reused in the reaction. In a future scenario with hydrogen as a main energy carrier, the separation and/or purification of the energetically costly hydrogen will become even more important. [1][2][3] A promising way is the use of hydrogen selective membranes made of hydrogen absorbing metals, such as Pd and its alloys. [4,5] The permeability of such membranes is determined by the surface properties of both sides (dissociation/recombination) and by the bulk permeability (diffusion and solubility). [4] There has been substantial research effort in finding cheaper materials with a higher permeability than that of Pd (e.g., V, Nb, Ta, and their alloys [6][7][8][9][10] ), however, expensive Pd and Pd based alloys remain the superior membrane materials owing to their favorable surface properties. [5,11] Cheap materials such as V-based alloys will revolutionize the technology, if their surface properties can be modified to match those of Pd. Despite this rather straightforward goal, there is a knowledge gap of what these desirable surface properties are. Most works refer to concepts from surface science which describe the physisorption, dissociation (barrier), and chemisorption of hydrogen. [12] However, additional steps-the hopping to subsurface sites and adjacent bulk sites-are needed to model the permeation process adequately. Nevertheless, due to the complex interaction of steps, the predictive power of modeling is limited [4,6,13] and-more importantly-experimental verification only possible by comparison with very basic experiments (permeation kinetics, e.g. ref.[14]) due to the lack of operando hydrogen analysis.Baldi et al. have demonstrated electron energy loss spectroscopy as an analysis method for bulk hydrogen in nano-particles. [15] In this paper, we further developed the method to be able to probe the surface hydrogen content of hydride thin films in situ by reflecting electron energy loss spectroscopy (REELS). The method is applied in an experimental approach, in which the surface properties of membranes can be intentionally modified and their hydrogen content determined under operating conditions. We demonstrate the existence of a rate-limiting step by direct observation of the dependence of the permeation on the hydrogen content in a Pd/V composite membrane. The modeling yields the relevance of the individual layers, making it possible to link the results to the ones obtained from hydrogen uptakeThe functioning of hydrogen selective metal membranes relies on the finetuned interaction of their surfaces with the inner bulk. The link between hydrogen permeation and surface concentration is unveiled using a novel combination of thin film preparation and surface science analysis to probe and intentionally modify the surface properties of palladium vanadium composite membranes. The in situ preparation allows for observation of ultraclean hydrogenation and the quantification of the permeation as a function of temperature and p...

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“…It exhibits numerous excellent properties, including good performance as a high-frequency material, high water and oil repellency, good chemical resistance, high thermal resistance, and a low coefficient of friction. Therefore, PTFE has been used as an electret material, 1 super-hydrophobic material, 2 and protection material 3 etc. in various fields recently.…”

Section: Introductionmentioning

confidence: 99%