Molecular adsorption on graphene

Kong, Lingmei; Enders, Axel; Rahman, Talat S.; Dowben, Peter A.

doi:10.1088/0953-8984/26/44/443001

Cited by 199 publications

(193 citation statements)

References 201 publications

Supporting

Mentioning

179

Contrasting

Unclassified

Order By: Relevance

“…28,29 Therefore 3D maps of the short-range force can provide further understanding of local chemical reactivity of doped graphene and potential of the dopants as anchoring sites for graphene functionalization with organic molecules. [30][31][32] Here we employ 3D set of dAFM measurements to analyze the local interaction over B and N dopants. The measurements were done with two different tips with unknown chemical composition of the apex.…”

Section: Acs Nanomentioning

confidence: 99%

Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene

et al. 2015

View full text Add to dashboard Cite

Chemical doping is one of the most suitable ways of tuning the electronic properties of graphene and a promising candidate for a band gap opening. In this work we report a reliable and tunable method for preparation of high-quality boron and nitrogen co-doped graphene on silicon carbide substrate. We combine experimental (dAFM, STM, XPS, NEXAFS) and theoretical (total energy DFT and simulated STM) studies to analyze the structural, chemical, and electronic properties of the single-atom substitutional dopants in graphene. We show that chemical identification of boron and nitrogen substitutional defects can be achieved in the STM channel due to the quantum interference effect, arising due to the specific electronic structure of nitrogen dopant sites. Chemical reactivity of single boron and nitrogen dopants is analyzed using force-distance spectroscopy by means of dAFM.

show abstract

Section: Acs Nanomentioning

confidence: 99%

Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene

et al. 2015

View full text Add to dashboard Cite

show abstract

“…Selectivity is an extremely important factor to decide applicability of a particular material for sensors [13][14][15] . Gas sensing materials can be made selectively for target gas by tuning its characteristics via doping or defect creation [16][17][18][19][20] . For development of a material as gas sensors, fundamental understanding of mechanisms responsible for gas adsorption is necessary.…”

mentioning

confidence: 99%

On the mechanism of gas adsorption for pristine, defective and functionalized graphene

You

Deng

Tan

et al. 2017

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Defect is no longer deemed an adverse aspect of graphene. Contrarily, it can pave ways of extending applicability of graphene. Here, we discuss the effects of three types of defects on graphene: carbon deficiency, adatom (single Fe) dopant and introduction of functional groups (carboxyl, pyran group) on NO 2 gas adsorption via density functional theory method. We have observed that the unsaturated carbon in defected graphene is highly active to attract NO 2 molecules. Our study suggests that introducing Fe on graphene can enhance the NO 2 adsorption process. Adsorption energy calculations suggest the enhancement in NO 2 adsorption is more profound for Fe-doped mono and tetra vacant graphene than Fe doped bi-and tri-vacant graphene. This study could potentially be useful in developing adsorption-based applications of graphene.Graphene is regarded as a promising material for many practical applications [1][2][3][4][5][6][7] . When used for gas sensing applications, the extremely high active surface area and fast carrier mobility endow graphene the ability to detect a single molecule of target gas [8][9][10][11][12] . Selectivity is an extremely important factor to decide applicability of a particular material for sensors [13][14][15] . Gas sensing materials can be made selectively for target gas by tuning its characteristics via doping or defect creation [16][17][18][19][20] . For development of a material as gas sensors, fundamental understanding of mechanisms responsible for gas adsorption is necessary. In this work, we have selected NO 2 as target gas to develop mechanism of gas adsorption on graphene surface. A comprehensive and deep understanding of NO 2 gas adsorption on defected and functionalized graphene can be useful in development of practical graphene-based gas sensors. Previous reports suggest that NO 2 gas adsorption can be enhanced through modifying graphene structure via creation of vacancies 21,22 , doping impurities [22][23][24][25][26] and attaching chemical functional groups [27][28][29][30] . Using density functional theory (DFT), Lee et al elucidated that the monovacant graphene have strong NO 2 gas adsorption 21 and Zhou et al proposed that doping of transitional metal atoms (Cu, Ag and Au) can improve the sensing performance of graphene 23 . In an experimental study, Zhang et al demonstrated enhanced sensing performance after introducing single carbon vacancy defect into graphene 22 . Herein, we report an overall view on the effects of vacancies, adatom (Fe atom) and oxygenated groups on NO 2 gas adsorption behaviour of graphene surface using DFT.The spin-polarized density functional theory calculations are carried out using SIESTA code based on numerical atomic orbitals basis set. The Perdew-Burke-Ernzerhof (PBE) generalized gradient

show abstract

“…In Fig. 1c, a thin piece of GNs with the lateral size of around 6 lm fully covered with CNW is clearly seen, indicating that there exists adsorption effect between GN and CNW [28].…”

Section: Electrical Conductivity Characterizationmentioning

confidence: 89%

Effects of cellulose nanowhiskers on the properties of poly(vinyl alcohol)/graphene nanoplatelets nanocomposites

2015

View full text Add to dashboard Cite

Cellulose nanowhisker (CNW) is a kind of ideal reinforcing filler due to its biodegradability and renewability together with superior mechanical properties. CNW hybridization with graphene nanoplatelet (GN) incorporated into poly(vinyl alcohol) (PVA) films were produced by ultrasonication mixing prior to solution casting. CNW showed positive effects on the PVA/GN composite films, which improved the dispersion of GN and refined GN by replacing partial GN with CNW in PVA/ GN composite films. The addition of CNW effectively prevented the aggregation of GN in PVA matrices during the evaporation of water. Lateral size of GN is reduced by replacement of 0.1 and 0.4 wt% GN with an equivalent amount of CNW. The grain size of PVA decreased from 3.2 nm for PVA-0.5%GN to 2.8-3.1 nm for PVA/CNW/GN composite films. Young's modulus, tensile strength, and elongation at break of PVA/GN composite films increased by 12, 13, 150% when 0.1 wt% GN was replaced by CNW, respectively. The glass transition temperature moved from 30.68C for pure PVA to 40.48C for PVA/CNW/GN composite and the storage modulus of composite increased by 93%. With only 0.1%CNW addition, the swelling ratio of PVA-0.5%GN composites decreased by 15% and the conductivity of PVA-0.5%GN composites increase by 156%. The PVAbased composite with improved water resistance and electrical conductivity are potential for functional applications in the industrial field. POLYM. COMPOS., 00:000-000, 2015.

show abstract

Molecular adsorption on graphene

Cited by 199 publications

References 201 publications

Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene

Electronic and Chemical Properties of Donor, Acceptor Centers in Graphene

On the mechanism of gas adsorption for pristine, defective and functionalized graphene

Effects of cellulose nanowhiskers on the properties of poly(vinyl alcohol)/graphene nanoplatelets nanocomposites

Contact Info

Product

Resources

About