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

被引：13

作者：

Politano, Antonio ^{[1
]}

Vitiello, Miriam Serena ^{[2
,3
]}

Viti, Leonardo ^{[2
,3
]}

Hu, Jin ^{[4
]}

Mao, Zhiqiang ^{[4
]}

Wei, Jiang ^{[4
]}

Chiarello, Gennaro ^{[1
]}

Boukhvalov, Danil W. ^{[5
,6
]}

机构：

[1] Univ Calabria, Dept Phys, Via ponte Bucci 31-C, I-87036 Arcavacata Di Rende, CS, Italy

[2] CNR, Ist Nanosci, NEST, Piazza San Silvestro 12, I-56127 Pisa, Italy

[3] Scuola Normale Super Pisa, Piazza San Silvestro 12, I-56127 Pisa, Italy

[4] Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70118 USA

[5] Hanyang Univ, Dept Chem, 17 Haengdang Dong, Seoul 133791, South Korea

[6] Ural Fed Univ, Theoret Phys & Appl Math Dept, Mira St 19, Ekaterinburg 620002, Russia

来源：

NANO RESEARCH | 2016年 / 9卷 / 09期

关键词：

phosphorene; vibrational spectroscopy; density functional theory; carbon monoxide; EXFOLIATED BLACK PHOSPHORUS; ADSORPTION; COADSORPTION; TRANSISTORS; MOLECULES; SURFACES;

D O I：

10.1007/s12274-016-1146-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：2598 / 2605

页数：8

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