2012
DOI: 10.1039/c1cp23153g
|View full text |Cite
|
Sign up to set email alerts
|

The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene

Abstract: Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the presence and absence of an applied perpendicular electric field, is studied using density functional theory. We demonstrate that the applied field can significantly facilitate the binding of hydrogen molecules on N-doped graphene through dissociative adsorption and diffusion on… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1

Citation Types

2
46
0

Year Published

2013
2013
2018
2018

Publication Types

Select...
7
2

Relationship

0
9

Authors

Journals

citations
Cited by 76 publications
(48 citation statements)
references
References 26 publications
2
46
0
Order By: Relevance
“…Many kinds of carbon materials, such as activated carbons, carbon nanofibres and carbon nanotubes have been concluded as potential hydrogen storage materials during these decades2324252627. Graphene with its unique structural, electronic, thermal, and mechanical properties has been identified as a promosing candidate for hydrogen storage, especially doped graphene528. In addition to their high adsorption capacity and high adsorption/desorption rates, the carbon materials have to be predominantly microporous and have to provide an adequate surface chemistry and good mass transfer properties.…”
mentioning
confidence: 99%
“…Many kinds of carbon materials, such as activated carbons, carbon nanofibres and carbon nanotubes have been concluded as potential hydrogen storage materials during these decades2324252627. Graphene with its unique structural, electronic, thermal, and mechanical properties has been identified as a promosing candidate for hydrogen storage, especially doped graphene528. In addition to their high adsorption capacity and high adsorption/desorption rates, the carbon materials have to be predominantly microporous and have to provide an adequate surface chemistry and good mass transfer properties.…”
mentioning
confidence: 99%
“…(=0.5 V/Å) was studied and no instability in the graphene layer was reported. 64 Similarly, dissociative adsorption of hydrogen on nitrogen-doped graphene was studied under the electric field values ranging between 0 and 0.5 V/Å. 65 Neither of these theoretical studies report breaking of the carbon− carbon bonds in graphene under electric field values in the range of 1 V/Å.…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…Another possibility is to use doped graphene, especially with boron [36][37][38], aluminum [39], silicon [40], or nitrogen [41], for significant enhancement of H 2 binding capacity. The presence of boron modifies the symmetry of the energy landscape because of both the larger boron size (with respect to carbon) and its stronger interaction with hydrogen molecules [36].…”
Section: Doped Graphenementioning
confidence: 99%