Chemistry, Physics and Technology of Surface, 2010, 1 (3), 235-237.

Electrostatic Field Tensities near Irregularities of Porous Silicon Surface



M. I. Terebinska, V. V. Lobanov, A. G. Grebenyuk

Abstract


Equilibrium spatial structure of the Si89(OH)43H*36 cluster model simulated for a pyramid-like formation on porous silicon surface has been calculated within the frameworks of density functional theory method with 6-31G** basis set. The electron charge and electrostatic field distribution have been evalua­ted in the vicinity of such a formation. The electrostatic field tensity has been found to be great enough to ionize adsorbed organic molecules.

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References


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