Surface diffusion of hydrogen on Ni(100) studied using laser-induced thermal desorption

George, Steven M.; DeSantolo, A.; Hall, Richard B.

doi:10.1016/0039-6028(85)90097-4

Cited by 232 publications

(57 citation statements)

References 15 publications

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“…If we assume that the diffusion is of activation nature, with the length of an elementary hop being equal to a few tenths of a nanometer and with attempts to overcome the barrier occurring at the frequency of vibrational motion of the adsorbed atom, i.e., every several tenths of a picosecond, then the activation barrier for the diffusion can be estimated to be about 0.1 eV. This value agrees with the empirical "one sixth" rule (George et al, 1985) for the ratio of diffusion barrier height to adsorption energy. Since the photodiffusion coefficient D * (0) is proportional to the pump intensity I(0), it may be naturally written in the form D * (0) = κI(0), where the value of κ equals, according to the results of the measurements, 2×10 -10 cm 4 J -1 .…”

Section: Theory Of the Photo-induced Surface Diffusion Versus Experimsupporting

confidence: 69%

Light-Induced Surface Diffusion

Vartanyan¹,

Przhibel’skiĭ²,

Khromov³

et al. 2011

Mass Transfer - Advanced Aspects

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Section: Theory Of the Photo-induced Surface Diffusion Versus Experimsupporting

confidence: 69%

Light-Induced Surface Diffusion

Vartanyan¹,

Przhibel’skiĭ²,

Khromov³

et al. 2011

Mass Transfer - Advanced Aspects

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“…George, DeSantolo, and Hall 52 measured the diffusion coefficients using laser-induced thermal desorption, giving activation energies of 4.0± 0.5 kcal/ mol at a hydrogen coverage of 0.12 ML. 52 Other experiments have reported activation energies of 3.5± 0.3 kcal/ mol at a coverage close to 1 ML, 53 and 3.2 kcal/ mol over a range of submonolayer coverages. 54 As noted above, a previous analysis by Kresse and Hafner 14 assumed that the bridge site was a transition state to H diffusion on Ni͑100͒.…”

Section: Diffusionmentioning

confidence: 98%

Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfaces

Bhatia

Sholl

2005

The Journal of Chemical Physics

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Plane-wave density functional theory calculations were performed to investigate the binding and diffusion of hydrogen on three flat Ni surfaces, Ni(100), Ni(110), and Ni(111), and two stepped Ni surfaces, Ni(210) and Ni(531). On each surface, the favored adsorption sites were identified by considering the energy and stability of various binding sites and zero-point energy corrections were computed. Binding energies are compared with experimental and theoretical results from the literature. Good agreement with experimental and previous theoretical data is found. At surface coverages where adsorbate-adsorbate interactions are relatively weak, the binding energy of H is similar on the five Ni surfaces studied. Favorable binding energies are observed for stable surface sites, while subsurface sites have unfavorable values relative to the gas phase molecular hydrogen. Minimum energy paths for hydrogen diffusion on Ni surfaces and into subsurface sites were constructed.

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“…Experimental values of the activation energy for diffusion are in the range 0.139-0.174 eV. 1,3,29,30 In Sec. V we will consider the zeropoint motion effect on the activation energy and we can then make a more direct comparison with the experimental numbers.…”

Section: First-principles Calculationsmentioning

confidence: 99%

Quantum-mechanical calculation of H on Ni(001) using a model potential based on first-principles calculations

et al. 1997

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First-principles density-functional calculations of hydrogen adsorption on the Ni ͑001͒ surface have been performed in order to get a better understanding of adsorption and diffusion of hydrogen on metal surfaces. We find good agreement with experiments for the adsorption energy, binding distance, and barrier height for diffusion at room temperature. A model potential is fitted to the first-principles data points using the simulated annealing technique and the hydrogen band structure is derived by solving the three-dimensional Schrödinger equation. We find vibrational excitation energies slightly too high, with about 10%, compared with experiments and very narrow hydrogen bands. The experimentally observed absence of a pronounced isotope effect for hydrogen diffusion at low temperatures is discussed in terms of tunneling in a static three-dimensional potential. ͓S0163-1829͑97͒05124-2͔

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Surface diffusion of hydrogen on Ni(100) studied using laser-induced thermal desorption

Cited by 232 publications

References 15 publications

Light-Induced Surface Diffusion

Light-Induced Surface Diffusion

Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfaces

Quantum-mechanical calculation of H on Ni(001) using a model potential based on first-principles calculations

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