Acceleration of hydrogen absorption by palladium through surface alloying with gold

Namba, Kazuhiro; Ogura, Shohei; Ohno, Satoshi; Di, Wen; Kato, Koichi; Wilde, Markus; Pletikosić, Ivo; Pervan, Petar; Milun, M.; Fukutani, Katsuyuki

doi:10.1073/pnas.1800412115

Cited by 61 publications

(65 citation statements)

References 32 publications

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“…In agreement with experiment [9], the theory indicates that the octahedral (O) absorption sites are energetically more favorable than the tetrahedral (T) sites at H/Pd ratios up to 1 [10][11][12][13]. In addition, the theory was used to clarify the specifics of the band structure [12] and phonon dispersion of PdH [12,14,15], the dynamics of H diffusion [16], the effect of lattice strain on H diffusion [11], the energetics of subsurface H absorption [17,18], and the effect of vacancies on H absorption [14,19]. (ii) For pure Au, DFT is in favor of H absorption on the T sites, whereas the H location in the O sites is predicted to be unstable [13,19].…”

Section: Introductionmentioning

confidence: 56%

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Mamatkulov

Zhdanov

2020

Phys. Rev. E

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Hydrogen absorption by Pd exhibits hysteresis loops (provided the temperature is not too high) and represents one of the classical examples of first-order phase transitions in metals. Experiments indicate that addition of even a small amount of Au is able to suppress hysteresis. From this perspective, we analyze the energetics of hydrogen in a Pd-Au alloy by using extensive density-functional-theory (DFT) calculations. The dependence of the hydrogen binding energy on the number (n) of Au atoms forming an adsorption site is found to be appreciably nonlinear. With the DFT input for statistical calculations, we reproduce special features of the hydrogen absorption isotherms and explain the rapid decrease of the corresponding critical temperature with increasing Au fraction. The key factor here is that the phase transition is related primarily to absorption in sites formed only by Pd. With increasing Au amount, the fraction of such sites rapidly decreases, the distance between H atoms located there becomes on average larger, the interaction between them becomes weaker, and accordingly the driving force for the phase transition decreases. It is of interest that all these effects can be illustrated by taking only the configurations with n 2 into account. This means that in the context under consideration the fine details of the dependence of the hydrogen binding energy on n are in fact not too important.

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Section: Introductionmentioning

confidence: 56%

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Mamatkulov

Zhdanov

2020

Phys. Rev. E

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“…11,19,[60][61][62] The origin of this accelerating effect in PdAu alloys has recently been uncovered and is due to the reduction of the apparent activation energy for the hydrogen sorption at the surface upon alloying with Au. 19,63 In our particular case, we empirically find that the addition of 5 at.% Cu does not notably influence this effect and thus the fast kinetics are preserved. 14 To determine the absolute limit of detection (LoD) of the ternary alloy sensor we first measured the Δλ peak response in vacuum/pure H at a 1 Hz sampling frequency to be able to resolve the target of 1 s response time 64 for a series of hydrogen pulses in the pressure range from 1 mbar and below (Figure 4a).…”

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confidence: 62%

Rationally Designed PdAuCu Ternary Alloy Nanoparticles for Intrinsically Deactivation-Resistant Ultrafast Plasmonic Hydrogen Sensing

et al. 2019

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Hydrogen sensors are a prerequisite for the implementation of a hydrogen economy due to the high flammability of hydrogen-air mixtures. They are to comply with the increasingly stringent requirements set by stakeholders, such as the automotive industry and manufacturers of hydrogen safety systems, where sensor deactivation is a severe but widely unaddressed problem. In response, we report intrinsically deactivation-resistant nanoplasmonic hydrogen sensors enabled by a rationally-designed ternary PdAuCu alloy nanomaterial, which combines the identified best intrinsic attributes of the constituent binary Pd alloys. This way we achieve extraordinary hydrogen sensing metrics in synthetic air and poisoning gas background, simulating real application conditions. Specifically, we find a detection limit in the low ppm range, hysteresis-free response over 5 orders of magnitude hydrogen concentration, sub-second response time at room temperature, long-term stability and, as the key, excellent resistance to deactivating species like carbon monoxide, notably without application of any protective coatings. This constitutes an important step forward for optical hydrogen sensor technology, as it enables application under demanding conditions and provides a blueprint for further material and performance optimization by combining and concerting intrinsic material assets in multicomponent nanoparticles. In a wider context, our findings highlight the potential of rational materials design through alloying of multiple elements for gas sensor development, as well as the potential of engineered metal alloy nanoparticles in nanoplasmonics and catalysis.

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“…For example, a few years ago, the Department of Energy (DOE) in the United States (US) set up the following requirement for hydrogen storage materials for on-board implementation: a material should have a minimum gravimetric hydrogen density of 1.5 kWh kg −1 (4.5 wt% hydrogen, system-based) to be a good candidate as on-board H 2 -storage medium for full-fleet, light-duty vehicles in the US by the year 2020. For example, although materials based on Au and Pd can absorb and store a large amount of H 2 , [5] these metals are expensive and unsuitable for large-scale use. These kinds of requirements have been dictating the priority research directions on materials for hydrogen storage and release in the US as well as in many parts of the world.…”

Section: Materials and Chemical Systems For Hydrogen Storage And Releasementioning

confidence: 99%

CO₂‐Mediated H₂ Storage‐Release with Nanostructured Catalysts: Recent Progresses, Challenges, and Perspectives

Asefa

Koh

Yoon

2019

Advanced Energy Materials

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It has increasingly become clear that economic growth worldwide based on fossil fuel energy supply cannot be sustained; thus, alternative, renewable energy sources and carriers must be urgently developed to maintain growth. Dihydrogen (H2), which can produce energy without generating environmental pollutants, can play a major role in this endeavor. However, to use H2 in renewable energy systems, systems and materials that can store and transport it, or convert it into easier‐to‐handle/transport synthetic fuels, need to be developed. In this article, first, many of the issues related to both homogeneous and heterogeneous catalysts that are being developed to help H2's use as energy carrier are discussed. More focus is then given to heterogeneous nanocatalysts that are developed for reversible CO2‐mediated hydrogenation and dehydrogenation reactions involving chemical hydrogen carriers and delivery systems, mainly formic acid/CO2 and formate/bicarbonate. The challenges associated with the development of nanocatalysts based on earth‐abundant elements for dehydrogenation and hydrogenation reactions of these compounds for H2 storage and release are emphasized in the discussions. Finally, the pressing research questions and major issues that need to be addressed in the near future to help the realization of the “hydrogen economy” are outlined.

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Acceleration of hydrogen absorption by palladium through surface alloying with gold

Cited by 61 publications

References 32 publications

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Rationally Designed PdAuCu Ternary Alloy Nanoparticles for Intrinsically Deactivation-Resistant Ultrafast Plasmonic Hydrogen Sensing

CO₂‐Mediated H₂ Storage‐Release with Nanostructured Catalysts: Recent Progresses, Challenges, and Perspectives

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Acceleration of hydrogen absorption by palladium through surface alloying with gold

Cited by 61 publications

References 32 publications

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Suppression of hysteresis in absorption of hydrogen by a Pd-Au alloy

Rationally Designed PdAuCu Ternary Alloy Nanoparticles for Intrinsically Deactivation-Resistant Ultrafast Plasmonic Hydrogen Sensing

CO2‐Mediated H2 Storage‐Release with Nanostructured Catalysts: Recent Progresses, Challenges, and Perspectives

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CO₂‐Mediated H₂ Storage‐Release with Nanostructured Catalysts: Recent Progresses, Challenges, and Perspectives