Stability of hydrogenation states of graphene and conditions for hydrogen spillover

Han, Sang Soo; Jung, Hyun Suk; Jung, Dong Hyun; Choi, Sun-Hye; Park, Noejung

doi:10.1103/physrevb.85.155408

Cited by 45 publications

(36 citation statements)

References 29 publications

(34 reference statements)

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…This suggests that, on the pure graphene surface, the unpaired hydrogen adatoms tend to desorb to become molecular hydrogen gas rather than migrate within the plane. Note that the gaseous phase has obvious advantage in the entropy (75). On the other hand, once hydrogen adatoms are paired on the graphene plane, they are likely neither to desorb nor to migrate.…”

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.

Self Cite

View full text Add to dashboard Cite

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...

show abstract

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.

Self Cite

View full text Add to dashboard Cite

show abstract

“…1, 2) is considered -Eqs (1), (2). The hydrogen compression effect of 12 orders of magnitude (from P (Hgas) ≈ 1 · 10 −4 Pa to P (H2gas) ≈ 1 · 10 8 Pa), at the expense of the energy of association of hydrogen atoms to the "captured" molecules, is shown.…”

Section: Discussionmentioning

confidence: 99%

“…As is noted, for instance in [1][2][3][4][5][6][7][8][9][10], the hydrogen spillover effect manifestation in carbonbased nanomaterials has been not studied thoroughly, which is particularly relevant for solving the current problems of on-board hydrogen storage efficiency and safety.…”

Section: Introductionmentioning

confidence: 99%

On the spillover effect of the solid H2 intercalation into GNF's

Nechaev¹,

Filippova²,

Tomchuk³

et al. 2016

Nanosystems: Phys. Chem. Math.

View full text Add to dashboard Cite

“…As shown in [18][19][20][21], a very important role of the spillover effect [63][64][65][66][67][68][69] is the relevance to hydrogenation of GNFs [61,62].…”

Section: )mentioning

confidence: 99%

On Thermodynamic Stability of Hydrogenated Graphene Layers, Relevance to the Hydrogen on-board Storage

Nechaev

Везироглу²

2013

TOFCJ

View full text Add to dashboard Cite

The present analytical study using thermodynamic methods for analysis of data from a number of theoretical and experimental works, devoted to the current problem of thermodynamic stability and related thermodynamic characteristics of the following graphene layers systems: 1) double-side hydrogenated graphene of composition CH -theoretical graphane (Sofo et al. 2007) and experimental graphane (Elias et al. 2009); 2) theoretical single-side hydrogenated graphene of composition CH; 3) theoretical single-side hydrogenated graphene of composition C 2 H -graphone; 4) experimental hydrogenated epitaxial graphene, bilayer graphene and a few layers of graphene on SiO 2 or other substrates; 5) experimental and theoretical single-external side hydrogenated single-walled carbon nanotubes, and experimental hydrofullerene C 60 H 36 ; 6) experimental single-internal side hydrogenated (up to C 2 H or CH composition) graphene nanoblisters with intercalated high pressure H 2 gas inside them, formed on a surface of highly oriented pyrolytic graphite or epitaxial graphene under the atomic hydrogen treatment; and 7) experimental hydrogenated graphite (multigraphene) nanofibers with intercalated solid H 2 nano-regions inside them. The main target of the present study is to show a possible breakthrough in solving the problem of hydrogen on-board storage in fuel cell powered vehicles (Nechaev -2012.

show abstract

Stability of hydrogenation states of graphene and conditions for hydrogen spillover

Cited by 45 publications

References 29 publications

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

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

On the spillover effect of the solid H2 intercalation into GNF's

On Thermodynamic Stability of Hydrogenated Graphene Layers, Relevance to the Hydrogen on-board Storage

Contact Info

Product

Resources

About