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arXiv · 1804.10639

Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems

Antonio Politano·Miriam Serena Vitiello·Leonardo Viti·Jin Hu·Zhiqiang Mao·Jiang Wei·Gennaro Chiarello·Danil W. Boukhvalov
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Abstract

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 have been 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 unveil the unusual C-O vibrational band at 165-180 meV, activated by the lateral interactions in the CO overlayer.

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Antonio Politano, Miriam Serena Vitiello, Leonardo Viti, Jin Hu, Zhiqiang Mao, Jiang Wei, Gennaro Chiarello, Danil W. Boukhvalov. 2018-04-27. Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems. https://doi.org/10.1007/s12274-016-1146-2

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