2008
DOI: 10.1103/physrevb.77.125416
|View full text |Cite
|
Sign up to set email alerts
|

Adsorption ofH2O,NH3, CO,

Abstract: Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e. charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular or… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

54
687
5
14

Year Published

2009
2009
2018
2018

Publication Types

Select...
5
3
1

Relationship

0
9

Authors

Journals

citations
Cited by 1,560 publications
(760 citation statements)
references
References 15 publications
54
687
5
14
Order By: Relevance
“…This value is much larger than the calculated adsorption energy of 67 meV (1.5 kcal/mol) for NO 2 on pure graphene. 23 Residual oxygen defects such as carboxylic acids or epoxides in the reduced graphite oxide film should result in higher binding energies and may be responsible for the longer response times; this has been proposed earlier in the response of carbon nanotube sensors. 27 The micro hot plate sensor provides very fast temperature control and modulation and is a very useful tool in characterization of sensor materials and as an important enhancement to sensor response, recovery, and data interpretation.…”
Section: Resultsmentioning
confidence: 91%
See 1 more Smart Citation
“…This value is much larger than the calculated adsorption energy of 67 meV (1.5 kcal/mol) for NO 2 on pure graphene. 23 Residual oxygen defects such as carboxylic acids or epoxides in the reduced graphite oxide film should result in higher binding energies and may be responsible for the longer response times; this has been proposed earlier in the response of carbon nanotube sensors. 27 The micro hot plate sensor provides very fast temperature control and modulation and is a very useful tool in characterization of sensor materials and as an important enhancement to sensor response, recovery, and data interpretation.…”
Section: Resultsmentioning
confidence: 91%
“…In regard to graphene, theoretical calculations on the interaction with various molecules, including NO 2 and NH 3 , draw the conclusion that charge transfer is responsible for sensor response. 22,23 The following data indicate that the charge transfer mechanism is operative at the graphene surface with a limited role of the electrical contacts. First, the measurements presented in Figures 4 and 5 were made using the four-point sensors in Figure 1B, which eliminates the contact resistance of our sensing devices and also the area nearest to charge injection.…”
Section: Resultsmentioning
confidence: 93%
“…Namely, one of molecules acts as π-donor and the other act as π-acceptor in stacking interactions. 59 To have a better understanding on GO acting as π-donor or π-acceptor in the demulsification process, the intrinsic electronic characteristics of the graphene, GO and asphaltenes/resins are analyzed. As shown in Figure 9, the Fermi energy of graphene is 4.26-4.42 eV.…”
Section: Thementioning
confidence: 99%
“…However, they become crucial in the approaching phase of the molecule, when different orientations and locations with respect to C atoms determine the effective reaction path and barrier for the chemisorption reaction [80][81][82].…”
Section: Manipulation Of Reactivitymentioning
confidence: 99%