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Prediction on the light-assisted exfoliation of multilayered arsenene by the photo-isomerization of azobenzene

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Abstract

The exfoliation of gray arsenic into single- or few-layered arsenene is a challenge of utmost importance. We propose here that the conformational change in the photo-isomerization of azobenzene-based photochromes might be used to promote the exfoliation of multilayered arsenene. Our density functional theory calculations show that the trans-to-cis conformational change can lead to an increase of the adjacent interlayer distance of arsenene from 6.59 Å to 11.07 Å. Starting from the transition state, the azobenzene molecule can be isomerized into the more stable trans form based on further ab initio molecular dynamics simulations. Reactive molecular dynamics simulations also show that about a 5 Å interlayer distance change can be induced by the cis-to-trans photo-isomerization of an azobenzene-OC10H21 molecule. The computational results may inspire the experimental enthusiasm for light-driven synthesis of single or few-layered arsenene.

Graphical abstract: Prediction on the light-assisted exfoliation of multilayered arsenene by the photo-isomerization of azobenzene

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Publication details

The article was received on 08 Mar 2017, accepted on 27 Apr 2017 and first published on 03 May 2017


Article type: Communication
DOI: 10.1039/C7NR01667K
Citation: Nanoscale, 2017, Advance Article
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    Prediction on the light-assisted exfoliation of multilayered arsenene by the photo-isomerization of azobenzene

    J. Zhao, C. Liu, W. Guo and J. Ma, Nanoscale, 2017, Advance Article , DOI: 10.1039/C7NR01667K

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