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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.
Tsinghua University Press
Publication date: 
1 Sep 2016

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

Biblio References: 
Volume: 9 Issue: 9 Pages: 2598-2605
Nano Research