Fundamental studies and perceptions on the spillover mechanism for hydrogen storage

Psofogiannakis, George; Froudakis, George E.

doi:10.1039/c1cc11389e

Cited by 112 publications

(81 citation statements)

References 68 publications

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“…After that, the dissociated atomic hydrogen flows onto the substrate in the vicinity of metal catalyst, and subsequently diffuses onto the graphene. In this manner, a possible high hydrogen storage capacity on graphene can be achieved . Such as, decoration with nickel represents an improvement over pristine graphene sheets for hydrogen storage and minimizes the oxygen interference .…”

Section: Introductionmentioning

confidence: 99%

Density functional study of hydrogen adsorption and diffusion on Ni‐loaded graphene and graphene oxide

Wang

Xia

et al. 2014

Int J of Quantum Chemistry

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In this work, we performed density functional calculations to investigate the adsorption and diffusion of hydrogen on Niloaded graphene and single layer graphene oxide (SLGO). We evaluated the feasibility of hydrogen spillover in the presence of Ni 4 cluster and the role of oxygen-containing groups. Our calculations indicate that the hydrogen diffusion is difficult to take place on the Ni/graphene interface due to the stronger NiAH bond strength. Further, the chemisorbed H atoms are also hard to diffuse freely on the graphene surface. For the SLGO surface, both hydroxyl and epoxide groups may not facilitate the hydrogen diffusion. Instead, they are readily attracted by the nearby Ni catalyst and hydrogenated to water molecules.

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Section: Introductionmentioning

confidence: 99%

Density functional study of hydrogen adsorption and diffusion on Ni‐loaded graphene and graphene oxide

Wang

Xia

et al. 2014

Int J of Quantum Chemistry

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“…It has been proposed that accumulated hydrogen molecules on metal sites may be activated through catalysis and then spill over onto the otherwise inert surface, called the receptor (68)(69)(70)(71). Platinum nanoparticles are commonly used as catalysts, and activated carbon materials combined with MOFs have been tested as receptors.…”

Section: Spillover Of Hydrogen Onto Inert Surfacesmentioning

confidence: 99%

Progress on first-principles-based materials design for hydrogen storage

Park

Choi

Hwang

et al. 2012

Proc. Natl. Acad. Sci. U.S.A.

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This article briefly summarizes the research activities in the field of hydrogen storage in sorbent materials and reports our recent works and future directions for the design of such materials. Distinct features of sorption-based hydrogen storage methods are described compared with metal hydrides and complex chemical hydrides. We classify the studies of hydrogen sorbent materials in terms of two key technical issues: (i) constructing stable framework structures with high porosity, and (ii) increasing the binding affinity of hydrogen molecules to surfaces beyond the usual van der Waals interaction. The recent development of reticular chemistry is summarized as a means for addressing the first issue. Theoretical studies focus mainly on the second issue and can be grouped into three classes according to the underlying interaction mechanism: electrostatic interactions based on alkaline cations, Kubas interactions with open transition metals, and orbital interactions involving Ca and other nontransitional metals. Hierarchical computational methods to enable the theoretical predictions are explained, from ab initio studies to molecular dynamics simulations using force field parameters. We also discuss the actual delivery amount of stored hydrogen, which depends on the charging and discharging conditions. The usefulness and practical significance of the hydrogen spillover mechanism in increasing the storage capacity are presented as well. Renewable Energy and the Significance of Hydrogen StorageT he prosperity of modern civilization is inextricably based on energy supply networks (on-grid or off-grid) that deliver petroleum, natural gas, and electricity to residential, public, commercial, and industrial facilities, as well as transport systems. Concerns are growing over the limited availability of natural resources and the environmentally hazardous byproducts of the energy conversion process, such as greenhouse gases. From this perspective, renewable energy harvesting technologies based on natural energy flows, including solar power, wind power, geothermal energy, and tidal energy, are increasingly gaining momentum. The storage of the harvested energy remains a fundamentally important factor for the utilization of the renewable energy because the sources of the renewable energy usually undergo significant spatial and temporal variations (1). The issue of hydrogen storage can be understood in this context. Among chemical fuels, pure hydrogen (i.e., in the gas form) has the highest mass density but the poorest volumetric density (2, 3). As a result, hydrogen storage research traces a long history of studies toward the reversible condensation of hydrogen into a limited volume using lightweight devices. In recent decades a globally recognized objective is the development of a stored hydrogen carrier that can power vehicles through fuel cells (or, perhaps, combustion engines). For example, the guideline published by the US Department of Energy states that, for a commercially competitive vehicle, hydrogen storage systems ne...

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“…The understanding at an atomic scale of the hydrogen spillover mechanism for storage of hydrogen in metal-doped carbon materials and metal-organic frameworks is discussed by means of a critical assessment of recent computational and experimental studies. It is claimed that the spillover mechanism includes (a) generation and desorption of mobile H atoms on metal nanoparticles; (b) diffusion of H atoms in weakly bound states on the support; (c) sticking and immobilization of H atoms at preferential locations of the receptor where barriers to sticking are lower, and (d) Eley-Rideal recombination of the adsorbed H atoms with diffusing mobile H atoms to form H 2 [53].…”

Section: Hydrogen Uptake Measurementsmentioning

confidence: 99%

Synthesis and Characterization of CMK Porous Carbons Modified with Metals Applied to Hydrogen Uptake and Storage

Costa¹,

Juárez²,

Anunziata³

2016

Microporous and Mesoporous Materials

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In this chapter, we have shown that hopeful hydrogen storage material can be obtained by ordered mesoporous carbons (carbons mesostructured from Korea, CMK-1 and CMK-3) and modified with metal/cations species. The pristine CMK-1 and CMK-3 were synthesized by replication using MCM-48 and SBA-15 as hard templates and sucrose as a carbon source. Incorporation of metal species was carried out by wetness impregnation. The mesoporous materials modified were characterized by X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), RAMAN, transmission electron microscopy (TEM), and adsorption/desorption N 2 isotherms. Carbon modified with metal/cations shows a better capacity for hydrogen uptake than that of the mesoporous carbons. The evolution of high-pressure hydrogen adsorption measured at 77 K shows that composites can significantly enhance hydrogen adsorption capacity and hydrogen storage performance of carbon materials, proving to be prospective candidates for application in hydrogen storage. The improved activity and the larger performance of composite materials are attributed to improved dispersion of uniform metal/cations nanoparticles as well as to efficient use of the support, which may originate a high-surface area and pore volume, allowing a large dispersion of clusters.

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Fundamental studies and perceptions on the spillover mechanism for hydrogen storage

Cited by 112 publications

References 68 publications

Density functional study of hydrogen adsorption and diffusion on Ni‐loaded graphene and graphene oxide

Density functional study of hydrogen adsorption and diffusion on Ni‐loaded graphene and graphene oxide

Progress on first-principles-based materials design for hydrogen storage

Synthesis and Characterization of CMK Porous Carbons Modified with Metals Applied to Hydrogen Uptake and Storage

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