2012
DOI: 10.1021/jp3050466
|View full text |Cite
|
Sign up to set email alerts
|

Reversible Transition of Graphene from Hydrophobic to Hydrophilic in the Presence of an Electric Field

Abstract: The catalytic effect of a perpendicular electric field on the reversible transition of graphene with water from hydrophobic to hydrophilic has been investigated by using first principles calculations. It is found that a negative electric field F can reduce the energy barrier for H 2 O dissociative adsorption on graphene, while a positive electric field has an opposite effect. Under F = −0.39 V/Å, the energy barrier becomes negative and the dissociative adsorption occurs smoothly without any potential barrier, … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1

Citation Types

1
38
0

Year Published

2013
2013
2022
2022

Publication Types

Select...
8

Relationship

0
8

Authors

Journals

citations
Cited by 50 publications
(39 citation statements)
references
References 20 publications
(29 reference statements)
1
38
0
Order By: Relevance
“…It is found that the adsorption position and orientation change when the defects are present. The obtained structures agree well with those in previous studies13212223. For example, for the case of a mono-atom vacancy, the physisorbed H 2 O molecule was atop of the hollow site of the vacancy, while the chemisorbed H 2 O molecule would be separated into two H atoms and one O atom attached to the three C atoms at the vacancy, which is consistent with a previously reported result21.…”
Section: Resultssupporting
confidence: 92%
“…It is found that the adsorption position and orientation change when the defects are present. The obtained structures agree well with those in previous studies13212223. For example, for the case of a mono-atom vacancy, the physisorbed H 2 O molecule was atop of the hollow site of the vacancy, while the chemisorbed H 2 O molecule would be separated into two H atoms and one O atom attached to the three C atoms at the vacancy, which is consistent with a previously reported result21.…”
Section: Resultssupporting
confidence: 92%
“…Therefore, nowadays more and more studies investigate the atomic structures and adsorption property dependence of graphene under different strength of external electric field. In this way, the CO adsorption on graphene nanodot, 3 the interaction between O 2 and Au-doped graphene 4 or the dissociative adsorption of H 2 O on graphene 5 have been analyzed by taking the external electric field into account. These studies showed that the applied electric field can enhance or weaken the adsorption of different particles onto the graphene surface as well as it can provide possible new and/or energetically more favourable reaction pathways which can not be reached otherwise.…”
Section: Introductionmentioning
confidence: 99%
“…Previously, we attempted to tailor the surface property of graphene surface from hydrophobic to hydrophilic using several methods including O 2 plasma, 27,28 O 3 treatment, 29,30 UV irradiation, 31,32 surface chemical doping, 33 and electrical field. 34 …”
mentioning
confidence: 99%