Atomic-scale observations of two-dimensional Re segregation at an internal interface in W(Re)

1990 ◽  
Vol 65 (13) ◽  
pp. 1615-1618 ◽  
Author(s):  
J. G. Hu ◽  
D. N. Seidman
Keyword(s):  
Atomic Scale ◽  
Two Dimensional ◽  
Internal Interface

Tuning Local Electrical Conductivity via Fine Atomic Scale Structures of Two-Dimensional Interfaces

Nano Letters ◽  
2018 ◽  
Vol 18 (9) ◽  
pp. 6030-6036 ◽  
Author(s):  
Shuai Zhang ◽  
Lei Gao ◽  
Aisheng Song ◽  
Xiaohu Zheng ◽  
Quanzhou Yao ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Atomic Scale ◽  
Two Dimensional ◽  
Scale Structures

Kondo effect at ultimate atomic-scale two-dimensional limit: Au/Si(111) 3×3 reconstruction with embedded Cr atoms

2020 ◽  
Vol 102 (19) ◽  
Author(s):  
A. V. Matetskiy ◽  
N. V. Denisov ◽  
D. V. Gruznev ◽  
L. V. Bondarenko ◽  
A. Y. Tupchaya ◽  
...  
Keyword(s):  
Kondo Effect ◽  
Atomic Scale ◽  
Two Dimensional

FACET: a two Dimensional Simulator of Polycrystalline thin film Growth

2000 ◽  
Vol 653 ◽  
Author(s):  
Jie Zhang ◽  
James B. Adams
Keyword(s):  
Thin Film ◽  
Film Growth ◽  
Crystal Surface ◽  
Thin Film Growth ◽  
Atomic Scale ◽  
Grain Structure ◽  
Textured Surface ◽  
Two Dimensional ◽  
Polycrystalline Thin Film ◽  
Lattice Monte Carlo

AbstractWe present FACET: a two dimensional simulator to model polycrystalline thin film growth, which links atomic scale processes to macroscopic phenomena. The model is based on the concept of describing the crystal surface in terms of preferred facets. Line segments were used to depict the profile of the grain and grain boundaries. Multiple nuclei are semi-randomly distributed along the textured or non-textured surface, and crystallographycally appropriate facets are created in the nucleation simulation. We use a Kinetic Lattice Monte Carlo (KLMC) method to calculate the inter-facet diffusion rates and use a continuum approach to grow the facets, hence the multiple grains. The software is Windows(95/98/2000/NT) based and has an integrated Graphical User Interface, within which a user can input deposition conditions and experimental and simulation data, visualize the nucleation and growth of the grains, and obtain the final grain structure and texture.

Modeling Atomic-Scale Electrical Contact Quality Across Two-Dimensional Interfaces

Nano Letters ◽  
2019 ◽  
Vol 19 (6) ◽  
pp. 3654-3662 ◽  
Author(s):  
Aisheng Song ◽  
Ruoyu Shi ◽  
Hongliang Lu ◽  
Lei Gao ◽  
Qunyang Li ◽  
...  
Keyword(s):  
Electrical Contact ◽  
Atomic Scale ◽  
Two Dimensional

The growth of crystals and the equilibrium structure of their surfaces

1951 ◽  
Vol 243 (866) ◽  
pp. 299-358 ◽  
Keyword(s):  
Activation Energy ◽  
Transition Temperature ◽  
Crystallographic Orientation ◽  
Crystal Surface ◽  
Equilibrium Structure ◽  
Surface Melting ◽  
Atomic Scale ◽  
Nearest Neighbour ◽  
Two Dimensional ◽  
Rate Of Growth

Parts I and II deal with the theory of crystal growth, parts III and IV with the form (on the atomic scale) of a crystal surface in equilibrium with the vapour. In part I we calculate the rate of advance of monomolecular steps (i.e. the edges of incomplete monomolecular layers of the crystal) as a function of supersaturation in the vapour and the mean concentration of kinks in the steps. We show that in most cases of growth from the vapour the rate of advance of monomolecular steps will be independent of their crystallographic orientation, so that a growing closed step will be circular. We also find the rate of advance for parallel sequences of steps. In part II we find the resulting rate of growth and the steepness of the growth cones or growth pyramids when the persistence of steps is due to the presence of dislocations. The cases in which several or many dislocations are involved are analysed in some detail; it is shown that they will commonly differ little from the case of a single dislocation. The rate of growth of a surface containing dislocations is shown to be proportional to the square of the supersaturation for low values and to the first power for high values of the latter. Volmer & Schultze’s (1931) observations on the rate of growth of iodine crystals from the vapour can be explained in this way. The application of the same ideas to growth of crystals from solution is briefly discussed. Part III deals with the equilibrium structure of steps, especially the statistics of kinks in steps, as dependent on temperature, binding energy parameters, and crystallographic orientation. The shape and size of a two-dimensional nucleus (i.e. an ‘island* of new monolayer of crystal on a completed layer) in unstable equilibrium with a given supersaturation at a given temperature is obtained, whence a corrected activation energy for two-dimensional nucleation is evaluated. At moderately low supersaturations this is so large that a crystal would have no observable growth rate. For a crystal face containing two screw dislocations of opposite sense, joined by a step, the activation energy is still very large when their distance apart is less than the diameter of the corresponding critical nucleus; but for any greater separation it is zero. Part IV treats as a ‘co-operative phenomenon’ the temperature dependence of the structure of the surface of a perfect crystal, free from steps at absolute zero. It is shown that such a surface remains practically flat (save for single adsorbed molecules and vacant surface sites) until a transition temperature is reached, at which the roughness of the surface increases very rapidly (‘ surface melting ’). Assuming that the molecules in the surface are all in one or other of two levels, the results of Onsager (1944) for two-dimensional ferromagnets can be applied with little change. The transition temperature is of the order of, or higher than, the melting-point for crystal faces with nearest neighbour interactions in both directions (e.g. (100) faces of simple cubic or (111) or (100) faces of face-centred cubic crystals). When the interactions are of second nearest neighbour type in one direction (e.g. (110) faces of s.c. or f.c.c. crystals), the transition temperature is lower and corresponds to a surface melting of second nearest neighbour bonds. The error introduced by the assumed restriction to two available levels is investigated by a generalization of Bethe’s method (1935) to larger numbers of levels. This method gives an anomalous result for the two-level problem. The calculated transition temperature decreases substantially on going from two to three levels, but remains practically the same for larger numbers.

ChemInform Abstract: Model Studies on Heterogeneous Catalysts at the Atomic Scale: From Supported Metal Particles to Two-dimensional Zeolites

ChemInform ◽  
2014 ◽  
Vol 45 (6) ◽  
pp. no-no
Author(s):  
Hans-Joachim Freund ◽  
Markus Heyde ◽  
Niklas Nilius ◽  
Swetlana Schauermann ◽  
Shamil Shaikhutdinov ◽  
...  
Keyword(s):  
Heterogeneous Catalysts ◽  
Atomic Scale ◽  
Metal Particles ◽  
Abstract Model ◽  
Two Dimensional ◽  
Model Studies ◽  
Supported Metal

scholarly journals Model studies on heterogeneous catalysts at the atomic scale: From supported metal particles to two-dimensional zeolites

2013 ◽  
Vol 308 ◽  
pp. 154-167 ◽  
Author(s):  
Hans-Joachim Freund ◽  
Markus Heyde ◽  
Niklas Nilius ◽  
Swetlana Schauermann ◽  
Shamil Shaikhutdinov ◽  
...  
Keyword(s):  
Heterogeneous Catalysts ◽  
Atomic Scale ◽  
Metal Particles ◽  
Two Dimensional ◽  
Model Studies ◽  
Supported Metal
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