Computer simulation of the surface free energy of the Si(100) surface and the line free energies associated with steps on this surface

Article Abstract:

Many atomic-level 0 K thermodynamic properties of silicon (100) surfaces are calculated from classical potential energy surfaces or from quantum ground-state Born-Oppenheimer surfaces. The methods presented for determining the surface and line free energies are exact in the sense that they realize the formal definitions of these quantities.

Science & research, Research, Thermodynamics, Mechanical properties, Potential energy

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Metal acetylacetonate domains grown on H-terminated porous silicon at room temperature and their specific I-V behavior

Article Abstract:

A study incubated porous silicon (PS) in an organic solution of metal acetylacetonates of Mn([acac.sub.3]), Fe([acac.sub.3]), Co([acac.sub.3]) and Ni([acac.sub.2]) at room temperature. It was found that crystal-like domains spontaneously self-assembled on PS surfaces by atomic force microscopy (AFM).

Usage, Atomic force microscopy, Organic solvents

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Reaction of 1,2-dibromobenzene with the Si(111)-7x7 surface, a DFT study

Article Abstract:

Reaction between 1,2-dibromobenzene and the Si(111)-7x7 surface is studied theoretically on the DFT(B3LYP/6-31G(d) level. Calculations suggest that the reaction occurs spontaneously at room temperature through a covalent attachment of the intact 1,2-dibromobenzene to the silicon surface.

Analysis, Density functionals, Density functional theory, Surface chemistry

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