Hydrogen adsorption on carbon nanocone material studied by thermal desorption and photoemission

Yu, Xiaofeng; Tverdal, Merete F.; Raaen, S.; Helgesen, Geir; Knudsen, Kenneth D.

doi:10.1016/j.apsusc.2008.06.120

Cited by 26 publications

(11 citation statements)

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Applications taking advantage of this particular topology and morphology, e.g. for preferential absorption and storage of hydrogen [30,31], can also be foreseen.…”

Section: Discussionmentioning

confidence: 99%

Carbon nanocones: wall structure and morphology

Naess

Elgsaeter

Helgesen

et al. 2009

Science and Technology of Advanced Materials

Self Cite

121

View full text Add to dashboard Cite

Large-scale production of conical carbon nanostructures is possible through pyrolysis of hydrocarbons in a plasma torch process. The resulting carbon cones occur in five distinctly different forms, and disc-shaped particles are produced as well. The structure and properties of these carbon cones and discs have been relatively little explored until now. Here we characterize the structure of these particles using transmission electron microscopy, synchrotron x-ray and electron diffraction. The carbon nanocones are found to exhibit several interesting structural features; instead of having a uniform cross-section, the walls consist of a relatively thin inner graphite-like layer with a non-crystalline envelope, where the amount of the latter can be modified significantly by annealing. The cones appear with a well-defined faceting along the cone edge, demonstrating strict long-range atomic ordering; they also present occasional examples of symmetry breaking, such as two apexes appearing in the same carbon nanocone.

show abstract

“…Applications taking advantage of this particular topology and morphology, e.g. for preferential absorption and storage of hydrogen [30,31], can also be foreseen.…”

Section: Discussionmentioning

confidence: 99%

Carbon nanocones: wall structure and morphology

Naess

Elgsaeter

Helgesen

et al. 2009

Science and Technology of Advanced Materials

Self Cite

121

View full text Add to dashboard Cite

show abstract

“…Then IR and frontier molecular orbital computations were performed on them. All of the computations were implemented in the Gaussian 09 software by density functional theory method and in the B3LYP/6-31G (d) level of theory [11][12][13]. This basis set was selected because in the previous researches, the obtained theory results from this level of theory were in a great agreement with the real experimental data [14].…”

Section: Computational Detailsmentioning

confidence: 99%

“…The low C-C and C-N bond lengths are another proof for TNT chemisorption on the surface of pristine and Ndoped carbon nanocone [13]. The next important point that can be realized from the reported adsorption energies is that after doping carbon nanocone with nitrogen the Interaction of TNT with the adsorbents improved significantly because of the remarkable decline in the adsorption energy values after nitrogen doping [12]. Table 1.…”

Section: Structural Featuresmentioning

confidence: 99%

See 1 more Smart Citation

Untitled

2020

Asian J. Nanosci. Mater.

View full text Add to dashboard Cite

In this research, the performance of the carbon nanocone as an adsorbent and a sensing material for the removal and detection of trinitrotoluene (TNT) was investigated using the density functional theory. The atomic structures of TNT and its complexes with carbon nanocone were optimized geometrically. Infra-red (IR) and frontier molecular orbital computations were employed to evaluate the interaction of TNT with the carbon nanocone. The obtained negative values of adsorption energies, Gibbs free energy changes, adsorption enthalpy variations and great values of thermodynamic equilibrium constants revealed that the interaction of the TNT with carbon nanocone was exothermic, spontaneous and experimentally feasible. The effect of the nitrogen doping and temperature on the adsorption process was also evaluated and the results indicated that TNT interaction with N-doped carbon nanocone was stronger than that of pristine one. In addition, 298 K was the optimum temperature for the adsorption process. The specific heat capacity values revealed that the heat sensitivity was declined tangibly after the TNT adsorption on the surface of carbon nanocone. Besides, the frontier molecular orbital parameters such as bandgap, electrophilicity, maximum transferred charge proved that the carbon nanocone could be utilized as an excellent sensing material for the construction of new electrochemical sensors for TNT determination. Some structural and energetic features were also discussed in details.

show abstract

“…[29][30] The former was conducted experimentally while the latter was performed by molecular dynamics.…”

Section: Introductionmentioning

confidence: 99%

Application of Molecular Dynamics in Mechanical Characterization of Carbon Nanocones

Fakhrabadi¹,

Dadashzadeh²,

Norouzifard³

et al. 2013

j comput theor nanosci

View full text Add to dashboard Cite

The paper presents the molecular dynamics simulation of the elastic, failure, buckling and vibrational behaviors of the carbon nanocones (CNCs) with different geometries. First, the elastic moduli of the CNCs are presented for different geometries and the effects of various loading rates and temperature variations on the rupture points of a CNC are investigated. Second, the buckling phenomena of the CNCs with different geometries are studied and the effects of mentioned conditions on the critical buckling stresses of a CNC are discussed. Third, the first natural frequencies of different CNCs are presented and the effects of temperature variations on the natural frequencies are studied.

show abstract

Hydrogen adsorption on carbon nanocone material studied by thermal desorption and photoemission

Cited by 26 publications

References 49 publications

Carbon nanocones: wall structure and morphology

Carbon nanocones: wall structure and morphology

Untitled

Application of Molecular Dynamics in Mechanical Characterization of Carbon Nanocones

Contact Info

Product

Resources

About