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

doi:10.1007/s12274-016-1146-2

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 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.]

Original language	English (US)
Pages (from-to)	2598-2605
Number of pages	8
Journal	Nano Research
Volume	9
Issue number	9
DOIs	https://doi.org/10.1007/s12274-016-1146-2
State	Published - Sep 1 2016

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics
Materials Science(all)
Condensed Matter Physics
Electrical and Electronic Engineering

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10.1007/s12274-016-1146-2

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title = "Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems",

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.]",

author = "Antonio Politano and Vitiello, {Miriam Serena} and Leonardo Viti and Jin Hu and Zhiqiang Mao and Jiang Wei and Gennaro Chiarello and Boukhvalov, {Danil W.}",

note = "Publisher Copyright: {\textcopyright} 2016, Tsinghua University Press and Springer-Verlag Berlin Heidelberg.",

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doi = "10.1007/s12274-016-1146-2",

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TY - JOUR

T1 - Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems

AU - Politano, Antonio

AU - Vitiello, Miriam Serena

AU - Viti, Leonardo

AU - Hu, Jin

AU - Mao, Zhiqiang

AU - Wei, Jiang

AU - Chiarello, Gennaro

AU - Boukhvalov, Danil W.

PY - 2016/9/1

Y1 - 2016/9/1

N2 - 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.]

AB - 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.]

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EP - 2605

JO - Nano Research

JF - Nano Research

IS - 9

ER -

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

Abstract

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