Cluster approximations of chemically enhanced molecule-surface Raman spectra: The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold

Abdelsalam Mohammed; Wei Hu; Per Ola Andersson; Margaretha Lundquist; Lars Landström; Yi Luo; Hans Ågren

doi:10.1016/j.cplett.2013.07.005

Cluster approximations of chemically enhanced molecule-surface Raman spectra: The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold

Abdelsalam Mohammed^*
, Wei Hu
, Per Ola Andersson
, Margaretha Lundquist
, Lars Landström
, Yi Luo
, Hans Ågren

^*Corresponding author for this work

Swedish Defence Research Agency
KTH Royal Institute of Technology
University of Science and Technology of China

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

The system, trans-1,2-bis (4-pyridyl) ethylene (BPE) on a Au substrate, is used to examine the applicability of cluster approximations for chemically enhanced molecule-surface Raman spectra. Different size of Au clusters, and adsorption sites, as well as different functionals were studied. In addition, the relative intensity of the two dominant modes of the theoretical spectra have been calculated for the different cluster sizes and adsorption sites. It was found that already a Au₂₀ cluster leads to excellent agreement with experimentally recorded spectra.

Original language	English
Pages (from-to)	70-73
Number of pages	4
Journal	Chemical Physics Letters
Volume	581
DOIs	https://doi.org/10.1016/j.cplett.2013.07.005
State	Published - 21 Aug 2013
Externally published	Yes

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10.1016/j.cplett.2013.07.005

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title = "Cluster approximations of chemically enhanced molecule-surface Raman spectra: The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold",

abstract = "The system, trans-1,2-bis (4-pyridyl) ethylene (BPE) on a Au substrate, is used to examine the applicability of cluster approximations for chemically enhanced molecule-surface Raman spectra. Different size of Au clusters, and adsorption sites, as well as different functionals were studied. In addition, the relative intensity of the two dominant modes of the theoretical spectra have been calculated for the different cluster sizes and adsorption sites. It was found that already a Au20 cluster leads to excellent agreement with experimentally recorded spectra.",

author = "Abdelsalam Mohammed and Wei Hu and Andersson, \{Per Ola\} and Margaretha Lundquist and Lars Landstr{\"o}m and Yi Luo and Hans {\AA}gren",

year = "2013",

month = aug,

day = "21",

doi = "10.1016/j.cplett.2013.07.005",

language = "英语",

volume = "581",

pages = "70--73",

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T1 - Cluster approximations of chemically enhanced molecule-surface Raman spectra

T2 - The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold

AU - Mohammed, Abdelsalam

AU - Hu, Wei

AU - Andersson, Per Ola

AU - Lundquist, Margaretha

AU - Landström, Lars

AU - Luo, Yi

AU - Ågren, Hans

PY - 2013/8/21

Y1 - 2013/8/21

N2 - The system, trans-1,2-bis (4-pyridyl) ethylene (BPE) on a Au substrate, is used to examine the applicability of cluster approximations for chemically enhanced molecule-surface Raman spectra. Different size of Au clusters, and adsorption sites, as well as different functionals were studied. In addition, the relative intensity of the two dominant modes of the theoretical spectra have been calculated for the different cluster sizes and adsorption sites. It was found that already a Au20 cluster leads to excellent agreement with experimentally recorded spectra.

AB - The system, trans-1,2-bis (4-pyridyl) ethylene (BPE) on a Au substrate, is used to examine the applicability of cluster approximations for chemically enhanced molecule-surface Raman spectra. Different size of Au clusters, and adsorption sites, as well as different functionals were studied. In addition, the relative intensity of the two dominant modes of the theoretical spectra have been calculated for the different cluster sizes and adsorption sites. It was found that already a Au20 cluster leads to excellent agreement with experimentally recorded spectra.

UR - https://www.scopus.com/pages/publications/84881481852

U2 - 10.1016/j.cplett.2013.07.005

DO - 10.1016/j.cplett.2013.07.005

M3 - 文章

AN - SCOPUS:84881481852

SN - 0009-2614

VL - 581

SP - 70

EP - 73

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Cluster approximations of chemically enhanced molecule-surface Raman spectra: The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold

Abstract

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