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The Stabilization Mechanism and Size Effect of Nonpolar-to-Polar Crystallography Facet Tailored ZnO Nano/Micro Rods via a Top-down Strategy

Abstract

A simple efficient top-down strategy, chemical vapor etching method, is reported for synthesizing corrugated ZnO nano/micro rods (NRs). The stabilization mechanism of this unique nanostructure has been determined through a combination of aberration-corrected field emission scanning electron microscopy, high-resolution transmission electron microscopy, and first-principles theory. The experimental data and theoretical calculation are in good agreement, and a remarkable nonpolar-to-polar surface faceting transition is demonstrated. The corrugated-shaped structure results from the remarkable stability of defect-induced reconstructions (O vacancy, Zn-Zn dimer), which makes the high-index polar {30-31} and {10-1-1} planes lower in energy than the nonpolar {10-10} plane. Based on the results of first-principles surface calculations, a general formula is established to provide accurate description of the unusual size effect of the length of corrugated unit vs. the NR diameter, and it also offers direct explanations for certain experimental observations. The present study deepens our atomic-level understanding of the detailed structure and stability of polar surfaces decorated corrugate ZnO NRs, and points to a viable path towards designing polar-stable wurtzite structures.

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Publication details

The article was received on 19 Apr 2018, accepted on 12 Jun 2018 and first published on 13 Jun 2018


Article type: Paper
DOI: 10.1039/C8CP02494D
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    The Stabilization Mechanism and Size Effect of Nonpolar-to-Polar Crystallography Facet Tailored ZnO Nano/Micro Rods via a Top-down Strategy

    X. Duan, C. Ma, W. Jin, X. Ma, L. Guo, S. Wei, J. YU and Y. Wu, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP02494D

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