Issue 5, 2019

Repairing the N-vacancy in an InN monolayer using NO molecules: a first-principles study

Abstract

The synthesis of a perfect InN monolayer is important to achieve desirable properties for the further investigation and application of InN monolayers. However, the inevitably existing defects, such as an N-vacancy, in the synthesized InN nanomaterials would significantly impair their geometric and electronic behaviors. In this study, we proposed to repair the N-vacancy in the InN monolayer using NO molecules through NO disproportionation, which was verified to be energetically favorable according to our first-principles calculations. The repaired InN monolayer was similar to the perfect counterpart in terms of the geometric and electronic aspects. In this study, a promising strategy is presented for repairing the N-vacancy in the InN monolayer to perfect its physicochemical properties effectively, which may also be used to repair N-vacancies in other materials.

Graphical abstract: Repairing the N-vacancy in an InN monolayer using NO molecules: a first-principles study

Article information

Article type
Paper
Submitted
23 Jan 2019
Accepted
27 Mar 2019
First published
29 Mar 2019
This article is Open Access
Creative Commons BY license

Nanoscale Adv., 2019,1, 2003-2008

Repairing the N-vacancy in an InN monolayer using NO molecules: a first-principles study

H. Cui, D. Chen, C. Yan, Y. Zhang and X. Zhang, Nanoscale Adv., 2019, 1, 2003 DOI: 10.1039/C9NA00041K

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