Catalytic surfaces of silicon nanopores, a Brownian dynamics study

Ramaprasad, P.,Goodnick, S.M.,Saraniti, M.

Computational Electronics（2010）

Cited 0|Views3

No score

Abstract

In this work we discuss the unique challenges associated with accurately modeling the surface charges responsible for the water-silica interface dynamics in silicon nanopores. We present a novel stochastic numerical model of the surface catalytic activity, representing the surface charge as discrete charges fixed on the wall of the pores. These discrete charges mimic the structural features of silica as in the p-cristobalite (100) surface. The results of our 3D full particle-based Brownian dynamics simulator reproduce the buildup of a counterion layer at the surface and predict the IV characteristics of the device.

Translated text

Key words

catalysis,elemental semiconductors,nanostructured materials,silicon,surface chemistry,β-cristobalite (100) surface,3d full particle-based brownian dynamics,si,discrete charge,silicon nanopores,stochastic numerical model,surface catalytic activity,surface charge,water-silica interface dynamics,brownian dynamics,catalytic silica surfaces,edl,deprotonation,silanol,ions,electric potential,mobile communication,catalytic activity,protons

AI Read Science

Must-Reading Tree

Example

Generate MRT to find the research sequence of this paper

Chat Paper

Summary is being generated by the instructions you defined