Structure of graphitic carbon on Ni(111): A surface extended-energy-loss fine-structure study

Rosei, R.; Crescenzi, M. De; Sette, F.; Quaresima, C.; Savoia, A.; Perfetti, P.

doi:10.1103/physrevb.28.1161

Cited by 187 publications

(87 citation statements)

References 20 publications

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“…21 Using LDA, we obtain an adhesion energy of 0.05 eV per carbon atom and a metal-to-graphite binding distance of 3.22 Å, in fair agreement with experimental obtained distances of 2.8 Å. 22 We stress that remaining total energy calculations have been done using the RPBE functional. This required a fixation of the graphene overlayer at the calculated distance of 3.22 Å in the direction perpendicular to the surface on clean Ni͑111͒.…”

Section: Fig 2 ͑A͒ ͑Left͒mentioning

confidence: 73%

Mechanisms for catalytic carbon nanofiber growth studied byab initiodensity functional theory calculations

et al. 2006

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Mechanisms and energetics of graphene growth catalyzed by nickel nanoclusters were studied using ab initio density functional theory calculations. It is demonstrated that nickel step-edge sites act as the preferential growth centers for graphene layers on the nickel surface. Carbon is transported from the deposition site at the free nickel surface to the perimeter of the growing graphene layer via surface or subsurface diffusion. Three different processes are identified to govern the growth of graphene layers, depending on the termination of the graphene perimeter at the nickel surface, and it is argued how these processes may lead to different nanofiber structures. The proposed growth model is found to be in good agreement with previous findings.

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Section: Fig 2 ͑A͒ ͑Left͒mentioning

confidence: 73%

Mechanisms for catalytic carbon nanofiber growth studied byab initiodensity functional theory calculations

et al. 2006

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“…They reported a surfaceto-bulk carbide transformation induced by CO adsorption. Rosei et al measured the structure of graphitic C on Ni(111) by surface extended energy loss fine structure (SEELFS) [6]. The graphite layer was deposited by thermal decomposition of CO at 570 K. Steinrück et al observed the adsorption and temperature dependent decomposition of hydrocarbons (propene, methanol) on Ni(100) by fast X-ray photoelectron spectroscopy (XPS) studies [7,8].…”

Section: Introductionmentioning

confidence: 99%

“…The binary system carbon/nickel is studied by various authors with respect to the application of Ni as a catalyst [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. Eizenberg et al [1,2] doped different Ni crystal planes with carbon by holding the sample in a quartz capsule filled with graphite powder at high temperatures.…”

Section: Introductionmentioning

confidence: 99%

“…Depending on the surface orientation they observed a graphite monolayer condensation in a temperature range of 100 K until the carbon was completely lost into the bulk. Other authors prepared carbon films by thermal decomposition of hydrocarbons or carbon monoxide [3][4][5][6][7][8][9][10][11][14][15][16]. Various measurement techniques and crystal planes, respectively, were used.…”

Section: Introductionmentioning

confidence: 99%

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Thermally induced reaction and diffusion of carbon films on Ni(111) and Ni(100)

Wiltner

Linsmeier

2008

Surface Science

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Thin carbon films on Ni(111) and Ni(100) and the reactive and diffusive interactions between film and substrate are investigated using X-ray photoelectron spectroscopy (XPS). The carbon films are deposited from the vapor phase with the substrates at room temperature. After deposition the films contain mainly elemental carbon. Restricted only to the carbon-nickel interface carbidic carbon is observed. Carbon films of various thicknesses between 0.4 and 3.2 nm are investigated after thermal treatments up to 970 K. The C 1s signal intensities are used for chemical analysis, both in a qualitative and quantitative way. The initially formed carbide partially decomposes between 400 and 570 K. Additional carbide formation sets in again, combined with incipient carbon diffusion, at higher temperatures. Carbon diffusion into the bulk leads to a decreasing C 1s signal intensity until the carbon is almost completely lost into the bulk.

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“…[1][2][3][4] Its catalytic reactivity drastically drops when graphitic overlayer is formed with a sufficient supply of carbon atoms at suitable temperatures. The hexagonal lattice constant of graphene, the monolayer graphite, is almost perfectly epitaxial to that of Ni(111) surface.…”

Section: Introductionmentioning

confidence: 99%

Adsorption, Bond Formation and Graphitization of Carbon Atoms on Ni(111) Surface

Shamoto

Aoki

2006

Mater. Trans.

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Adsorption, bond formation and graphitization of carbon atoms on Ni(111) surface are investigated using full-potential linear muffin-tin orbital method with Ni(111) surface modeled by a bilayer slab. The present calculations show that the adsorption of a single carbon atom onto the Ni surface occurs on fcc and hcp hollow sites and on the on-top site with strong C-Ni bonds. When another carbon atom approaches the adatom, they form stronger C-C bonds to form single-layer graphene. At the same time, C-Ni bonds are weakened and the graphene tends to float on the surface. The stationary properties of the floating graphene are also examined.

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Structure of graphitic carbon on Ni(111): A surface extended-energy-loss fine-structure study

Cited by 187 publications

References 20 publications

Mechanisms for catalytic carbon nanofiber growth studied byab initiodensity functional theory calculations

Mechanisms for catalytic carbon nanofiber growth studied byab initiodensity functional theory calculations

Thermally induced reaction and diffusion of carbon films on Ni(111) and Ni(100)

Adsorption, Bond Formation and Graphitization of Carbon Atoms on Ni(111) Surface

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