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

Title
Unusually strong lateral interaction in the CO overlayer in phosphorene-based systems
Author
Bukhvalov, Danil
Keywords
phosphorene; vibrational spectroscopy; density functional theory; carbon monoxide
Issue Date
2016-10
Publisher
TSINGHUA UNIV PRESS
Citation
NANO RESEARCH, v. 9, NO. 9, Page. 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.
URI
https://link.springer.com/article/10.1007%2Fs12274-016-1146-2https://repository.hanyang.ac.kr/handle/20.500.11754/98954
ISSN
1998-0124; 1998-0000
DOI
10.1007/s12274-016-1146-2
Appears in Collections:
COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > CHEMISTRY(화학과) > Articles
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