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Journal of Nanomaterials
Volume 2013 (2013), Article ID 820914, 9 pages
http://dx.doi.org/10.1155/2013/820914
Research Article

Simulation of the Electric Field Distribution Near a Topographically Nanostructured Titanium-Electrolyte Interface: Influence of the Passivation Layer

Interface Research Group, Institute of Electronic Appliances and Circuits, University of Rostock, Albert-Einstein Straße 2, 18059 Rostock, Germany

Received 11 January 2013; Revised 15 April 2013; Accepted 15 April 2013

Academic Editor: Nageh K. Allam

Copyright © 2013 Andreas Körtge et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

Supplementary Figure S1: Convergence of the relative error (a posteriori) of the electric field strength in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (d = 5 nm, r = 3 nm). The mesh was refined until the deviation of the electric field norm in the planar region was below 1% resulting in approximately 3.2·105 triangular mesh elements.

Supplementary Figure S2: (a) 2D mesh distribution of the passivated titanium nanotopography (d = 5 nm, r = 3 nm, no mesh refinement): 1259 triangular mesh elements, maximum element size 3.53·10-9 m, maximum element growth rate 1.3, resolution of curvature 0.3, resolution of narrow regions 1.0. Mesh quality: minimum element quality 0.682, average element quality 0.939. (b) Four refinements of the mesh result in 322304 triangular elements. In order to illustrate the mesh distribution, the concave and the convex area of the interface are depicted in detail in (c) and (d), respectively.

Supplementary Figure S3: Influence of the passivation layer permittivity εTiO2 on the electric field strengths in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (d = 5 nm, r = 3 nm, ND = 1.5·1020 cm-3, ΦBody = 450 mVSCE).

Supplementary Figure S4: Influence of the donor density in the passivation layer ND on the electric field strengths in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (d = 5 nm, r = 3 nm, εrTiO2 = 78, ΦBody = 450 mVSCE).

Supplementary Figure S5: Influence of the reference electric potential in the electrolyte solution Φbody on the electric field strengths in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (d = 5 nm, r = 3 nm, εrTiO2 = 78, ND = 1.5·1020 cm-3).

Supplementary Figure S6: Influence of the passivation layer thickness d on the electric field strengths in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (r = 3 nm, εrTiO2 = 78, ND = 1.5·1020 cm-3, ΦBody = 450 mVSCE).

Supplementary Figure S7: Influence of the interface radius of curvature r on the electric field strengths in the electrolyte at three different positions in 0.3 nm distance from the semiconductor-electrolyte boundary (d = 5 nm, εrTiO2 = 78, ND = 1.5·1020 cm-3, ΦBody = 450 mVSCE).

  1. Supplementary Materials