Thiophene thiol on the Au(111) surface: Size-dependent adsorption study

Chiranjib Majumder; Hiroshi Mizuseki; Yoshiyuki Kawazoe

doi:10.1063/1.1560137

Thiophene thiol on the Au(111) surface: Size-dependent adsorption study

Chiranjib Majumder, Hiroshi Mizuseki, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

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

25 Citations (Scopus)

Abstract

The adsorption of thiol terminated thiophene derivative molecules on the Au(111) surface was investigated using density functional theory with the generalized gradient approximation for exchange correlation energy. Thus, the Au(111) surface was modeled by a finite-size cluster and periodic slab model. The results show that the absorption geometry strongly depends on the surface models as well as the local electronic environment of the terminal sulfur atom.

Original language	English
Pages (from-to)	9809-9813
Number of pages	5
Journal	Journal of Chemical Physics
Volume	118
Issue number	21
DOIs	https://doi.org/10.1063/1.1560137
Publication status	Published - 2003 Jun 1

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.1560137

Cite this

@article{922c8c574ecd4c3dafd9ac03500e906d,

title = "Thiophene thiol on the Au(111) surface: Size-dependent adsorption study",

abstract = "The adsorption of thiol terminated thiophene derivative molecules on the Au(111) surface was investigated using density functional theory with the generalized gradient approximation for exchange correlation energy. Thus, the Au(111) surface was modeled by a finite-size cluster and periodic slab model. The results show that the absorption geometry strongly depends on the surface models as well as the local electronic environment of the terminal sulfur atom.",

author = "Chiranjib Majumder and Hiroshi Mizuseki and Yoshiyuki Kawazoe",

year = "2003",

month = jun,

day = "1",

doi = "10.1063/1.1560137",

language = "English",

volume = "118",

pages = "9809--9813",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "21",

}

TY - JOUR

T1 - Thiophene thiol on the Au(111) surface

T2 - Size-dependent adsorption study

AU - Majumder, Chiranjib

AU - Mizuseki, Hiroshi

AU - Kawazoe, Yoshiyuki

PY - 2003/6/1

Y1 - 2003/6/1

N2 - The adsorption of thiol terminated thiophene derivative molecules on the Au(111) surface was investigated using density functional theory with the generalized gradient approximation for exchange correlation energy. Thus, the Au(111) surface was modeled by a finite-size cluster and periodic slab model. The results show that the absorption geometry strongly depends on the surface models as well as the local electronic environment of the terminal sulfur atom.

AB - The adsorption of thiol terminated thiophene derivative molecules on the Au(111) surface was investigated using density functional theory with the generalized gradient approximation for exchange correlation energy. Thus, the Au(111) surface was modeled by a finite-size cluster and periodic slab model. The results show that the absorption geometry strongly depends on the surface models as well as the local electronic environment of the terminal sulfur atom.

UR - http://www.scopus.com/inward/record.url?scp=0038340906&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038340906&partnerID=8YFLogxK

U2 - 10.1063/1.1560137

DO - 10.1063/1.1560137

M3 - Article

AN - SCOPUS:0038340906

VL - 118

SP - 9809

EP - 9813

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 21

ER -

Thiophene thiol on the Au(111) surface: Size-dependent adsorption study

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this