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http://elar.urfu.ru/handle/10995/102238
Title: | Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems |
Authors: | Politano, A. Vitiello, M. S. Viti, L. Hu, J. Mao, Z. Wei, J. Chiarello, G. Boukhvalov, D. W. |
Issue Date: | 2016 |
Publisher: | Tsinghua University Press |
Citation: | Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems / A. Politano, M. S. Vitiello, L. Viti, et al. — DOI 10.1007/s12274-016-1146-2 // Nano Research. — 2016. — Vol. 9. — Iss. 9. — P. 2598-2605. |
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 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. [Figure not available: see fulltext.] © 2016, Tsinghua University Press and Springer-Verlag Berlin Heidelberg. |
Keywords: | CARBON MONOXIDE DENSITY FUNCTIONAL THEORY PHOSPHORENE VIBRATIONAL SPECTROSCOPY ADSORPTION CARBON MONOXIDE VIBRATIONAL SPECTRA VIBRATIONAL SPECTROSCOPY ADSORPTION ENERGIES CO ADSORPTION DFT MODELING LATERAL INTERACTIONS PHOSPHORENE STRETCHING ENERGY VIBRATIONAL BANDS DENSITY FUNCTIONAL THEORY |
URI: | http://elar.urfu.ru/handle/10995/102238 |
Access: | info:eu-repo/semantics/openAccess |
SCOPUS ID: | 84976902641 |
PURE ID: | 1092579 8fc17f9c-73b4-4e8b-916d-cd7ee3dc54a7 |
ISSN: | 19980124 |
DOI: | 10.1007/s12274-016-1146-2 |
Appears in Collections: | Научные публикации, проиндексированные в SCOPUS и WoS CC |
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