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Updated: Jun 1, 2026

Aerosol-assisted Chemical Vapor Deposition of Metal Oxide Structures: Zinc Oxide Rods
Published on: September 14, 2017
Large surface dipole moments in ZnO nanorods
S Dag1, Shuzhi Wang, Lin-Wang Wang
1Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States. sdag@lbl.gov
Abstract:
A self-consistent linear scaling three-dimensional fragment (LS3DF) method is used to study the dipole moments and internal electric fields of large ZnO nanorods. Our ab initio calculations reveal that the ZnO nanorod with unpassivated (1010) side surface has a side surface contribution per Zn-O dimer 10 times larger than the bulk contribution per Zn-O bond. Detailed analysis is used to decompose the total dipole moment into different contributions. It is found that the total dipole moment of a nanorod can be calculated from the different parts with their dielectric screening described by a continuous model. We also show the effect of the dipole moment on the interior electronic structure of the nanorod.
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