Binding energies of carbon to Ni(100) from equilibrium segregation studies

Isett, L. C.; Blakely, J. M.

doi:10.1016/0039-6028(75)90208-3

Cited by 88 publications

(9 citation statements)

References 6 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The y carbon obeys a segregation type behaviour above 700 K, similar to that reported by Blakely and coworkers [11,13,14]. However, our results differ from those of Blakely et al in that no graphite was ever found on the surface.…”

Section: Interaction Of Methane With Ni( Ioo) the Fate Of Carbon On supporting

confidence: 82%

See 1 more Smart Citation

Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study

1979

View full text Add to dashboard Cite

The interaction of methane with Ni(100) results in the deposition of carbon in a carbidic form onto the surface. The sticking coefficient is initially 5 X 10mg and does not depend on temperature in the range 474-563 K. This surface carbide consists of two different types with respect to their stability. A first kind may be made to diffuse into the bulk between 626-670 K, similar to experiments on Ni(l10). A second kind is more tightly bound and leads to a segregation type of behaviour. Methane does not interact with Ni(ll1).

show abstract

Section: Interaction Of Methane With Ni( Ioo) the Fate Of Carbon On supporting

confidence: 82%

“…an absolute coverage of a quarter of a monolayer. The same convention has been adopted by Blakely and coworkers [11, 13,14]. …”

Section: Diffusion and Segregation Of Carbon Through Ni(i00)mentioning

confidence: 99%

Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study

1979

View full text Add to dashboard Cite

show abstract

“…Ni(111). In most of the previous UBI−QEP calculations for Ni(111), the binding energy of carbon was set to 171 kcal/mol. ,,− This is a well-calibrated value which is close to the binding energy of carbon on Ni(100): Q C = 171.5 kcal/mol …”

Section: Resultsmentioning

confidence: 99%

C−C Bond Scission in Ethane Hydrogenolysis

2000

View full text Add to dashboard Cite

C−C bond scission steps are often considered rate-determining in ethane hydrogenolysis. This paper is devoted to the calculations of the activation energies of these steps using the unity bond index−quadratic exponential potential method, formerly known as the bond-order conservation−Morse potential method. Binding energies of atomic carbon with groups VIII and IB metals Ni(111), Pd(111), Pt(111), Rh(111), Ru(0001), Ir(111), Fe(110), Cu(111), and Au(111) are estimated from experimental data on the chemisorption of various species on these surfaces. The resulting estimates are corrected taking into account DFT data on CH x binding energies. The strengths of carbon binding to the surfaces allow arranging the metals into the following series: Cu(111) < Au(111) < Pd(111) < Ru(0001) < Pt(111) ≈ Ni(111) < Rh(111) < Ir(111) < Fe(110). The values of carbon binding energies range from 122.9 kcal/mol for Cu(111) to 192.5 kcal/mol for Fe(110). The activities of these surfaces toward C−C bond scission increase in the same series.

show abstract

“…9 However, experimental data for the fundamental thermodynamic quantities, such as the bonding energy of atomic carbon on single crystal surfaces, are scarce. The only known data for single crystal surfaces exists in a series of articles by Blakely and co-workers, [10][11][12][13] in which the binding energy for carbon was estimated through a thermodynamic cycle using the measured heats of segregation, vaporization, and solution. Their measured binding energies are 7.35 eV for Ni͑100͒ and an upper limit of Ͻ6.94 eV for Ni͑111͒.…”

Section: Previous Workmentioning

confidence: 99%

Adsorption of a carbon atom on theNi38magic cluster and three low-index nickel surfaces: A comparative first-principles study

Zhang

Wells²,

Gong³

et al. 2004

Phys. Rev. B

View full text Add to dashboard Cite

Significant current interest exists in the catalytic growth of carbon ͑C͒ nanotubes on clusters of transition metal catalysts. Here we focus on the elemental energetics for the atomistic rate processes involved in the initial stages of the growth by studying a C atom on a nickel ͑Ni͒ magic cluster (Ni 38 ), which preserves fcc geometry, and three low-index extended Ni surfaces. Our methods are based on density-functional theory. The binding energies of a C atom on the extended Ni surfaces and the corresponding facets on the Ni cluster have been obtained and compared. In spite of the large difference in the curvature, the preference order of the adsorption sites for both the cluster and the extended surfaces is unchanged, which shows that among the stable ͑100͒, ͑111͒ hcp, and ͑111͒ fcc sites the ͑100͒ has the lowest energy. The diffusion barriers for a C atom on the three low-index surfaces, namely ͑100͒, ͑110͒, and ͑111͒, have also been obtained, with the highest mobility on the Ni͑111͒ surface.

show abstract

Binding energies of carbon to Ni(100) from equilibrium segregation studies

Cited by 88 publications

References 6 publications

Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study

Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study

C−C Bond Scission in Ethane Hydrogenolysis

Adsorption of a carbon atom on theNi38magic cluster and three low-index nickel surfaces: A comparative first-principles study

Contact Info

Product

Resources

About