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By means of vibrational spectroscopy and density functional theory (DFT), we investigate CO adsorption on phosphorene-based systems. We find stable CO adsorption at room temperature on both phosphorene and bulk black phosphorus. The adsorption energy and vibrational spectrum are calculated for several possible configurations of the CO overlayer. We find that the vibrational spectrum is characterized by two different C–O stretching energies. The experimental data are in good agreement with the prediction of the DFT model and reveal the unusual C–O vibrational band at 165–180 meV, activated by the lateral interactions in the CO overlayer.

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Publication history

Received: 06 March 2016
Revised: 30 April 2016
Accepted: 12 May 2016
Published: 04 July 2016
Issue date: September 2016

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© Tsinghua University Press and Springer‐Verlag Berlin Heidelberg 2016

Acknowledgements

Acknowledgements

A. P. and G. C. thank Vito Fabio for technical support. The work at Tulane is supported by the US Department of Energy under grant DE-SC0014208 (support for single crystal growth and structure characterization).

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Reprints and Permission requests may be sought directly from editorial office.
Email: nanores@tup.tsinghua.edu.cn

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