Diffusion of single adatom Cu on Cu (001) and (110) surfaces

Wen, Yanwei; Jian-min, Zhang; Xu, Ke

doi:10.1016/j.apsusc.2009.09.014

Cited by 5 publications

(3 citation statements)

References 32 publications

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“…Hopping is the standard mechanism for surface diffusion, but also the exchange mechanism may drive adatoms along both crystallographic directions. Values in parentheses represent reference ranges from data in the literature. − b Diffusion occurs via a Ni–Cu/Cu–Ni exchange process involving two Cu and one Ni atoms. …”

Section: Resultsmentioning

confidence: 99%

Tailoring Bimetallic Alloy Surface Properties by Kinetic Control of Self-Diffusion Processes at the Nanoscale

et al. 2012

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Achieving control of the nanoscale structure of binary alloys is of paramount importance for the design of novel materials with specific properties, leading to, for example, improved reaction rates and selectivity in catalysis, tailored magnetic behavior in electronics, and controlled growth of nanostructured materials such as graphene. By means of a combined experimental and theoretical approach, we show that the complex self-diffusion mechanisms determining these key properties can be mostly defined by kinetic rather than energetic effects. We explain how in the Ni-Cu system nanoscale control of self-diffusion and segregation processes close to the surface can be achieved by finely tuning the relative concentration of the alloy constituents. This allows tailoring the material functionality and provides a clear explanation of previously observed effects involved, for example, in the growth of graphene films and in the catalytic reduction of carbon dioxide.

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Section: Resultsmentioning

confidence: 99%

Tailoring Bimetallic Alloy Surface Properties by Kinetic Control of Self-Diffusion Processes at the Nanoscale

et al. 2012

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“…This is unlikely to occur by bulk diffusion at these low temperatures so a surface diffusion mechanism is more likely. It is known that atoms on the Cu(110) surface are mobile at room temperature [29] and the incorporation of the platinum atoms into the surface layer could occur either by occupation of a vacancy left by a migrating copper atom or, more likely, by a direct displacement of a surface layer atom. Field ion microscope observations of the behaviour of platinum on a Ni(110) surface [30] favours the latter.…”

Section: Resultsmentioning

confidence: 99%

The structure formed by the deposition of a sub-monolayer quantity of platinum onto Cu(110) investigated using medium energy ion scattering

et al. 2011

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“…Metallic adsorbates on metallic substrates are of considerable importance in surface physics, as in the structure, energetics and wetting of adsorbed clusters [10][11][12][13][14][15][16][17][18][19][20][21][22], their thermodynamics [17], their diffusion and dissociation dynamics [10,12, already at the limit of single adatoms [44][45][46][47][48][49][50][51][52][53][54]. These studies are assisted by the availability of structural information provided experimentally by scanning tunneling microscopy or transmission electron microscopy.…”

Section: Introductionmentioning

confidence: 99%

Effective embedded-atom potential for metallic adsorbates on crystalline surfaces

Förster¹,

Magnin²,

Rabilloud³

et al. 2014

Modelling Simul. Mater. Sci. Eng.

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Based on the embedded-atom method (EAM), an analytical effective potential is developed to model the interaction of a metallic adsorbate on a perfect crystalline substrate, which is also metallic. The many-body character of the original EAM potential is preserved in the adsorbate energy and in the alteration of the substrate energy due to the presence of the adsorbate. A mean-field-type version neglecting corrugation of the substrate is first derived based on rigorous integration of individual monolayers, followed by an approximate form for the perturbation of the substrate energy. Lateral corrugation is subsequently included by additional phenomenological terms respecting the symmetry of the substrate, again preserving the many-body nature of the original potential. The effective model contains four parameters to describe uncorrugated substrates and eight extra parameters to describe every order of the Fourier lateral expansion. These parameters were fitted to reproduce the adsorption energy of a sample of random configurations of realistic 2D and 3D clusters deposited on the (1 1 1) fcc surface, for metals for which popular EAM models have been parametrized. As a simple application, the local relaxation of pre-formed icosahedral or truncated octahedral clusters soft-landed and exposing (1 1 1) faces in epitaxy to the substrate has been simulated at 0 and 300 K. The deformation of small clusters to wet the substrate is correctly captured by the effective model. This agreement with the exact potential suggests that the present model should be useful for treating metallic environments in large-scale surface studies, notably in structural optimization or as a template for more general models parametrized from ab initio data.

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Diffusion of single adatom Cu on Cu (001) and (110) surfaces

Cited by 5 publications

References 32 publications

Tailoring Bimetallic Alloy Surface Properties by Kinetic Control of Self-Diffusion Processes at the Nanoscale

Tailoring Bimetallic Alloy Surface Properties by Kinetic Control of Self-Diffusion Processes at the Nanoscale

The structure formed by the deposition of a sub-monolayer quantity of platinum onto Cu(110) investigated using medium energy ion scattering

Effective embedded-atom potential for metallic adsorbates on crystalline surfaces

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