Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface

M. Hidaka; T. Fujita; H. Nakai; H. Nakatsuji

doi:10.1016/S0009-2614(96)01349-8

Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface

M. Hidaka, T. Fujita, H. Nakai, H. Nakatsuji^*

^*Corresponding author for this work

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

1 Citation (Scopus)

Abstract

The molecular orbital (MO) model of scanning tunneling microscopy (STM) developed previously is applied to the Pd₂ tip C₆H₆ sample system to examine the effect of tilting the tip, and to benzene adsorbed on a silver surface to investigate the effect of the surface-adsorbate interaction on the STM image. The effect of tilting the tip is shown to depend on the nature of the tip MOs responsible for the STM current. The possibility of elucidating the site and geometry of the adsorbate by a combined use of experimental and theoretical STM images is discussed.

Original language	English
Pages (from-to)	371-375
Number of pages	5
Journal	Chemical Physics Letters
Volume	264
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(96)01349-8
Publication status	Published - 1997 Jan 10
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(96)01349-8

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abstract = "The molecular orbital (MO) model of scanning tunneling microscopy (STM) developed previously is applied to the Pd2 tip C6H6 sample system to examine the effect of tilting the tip, and to benzene adsorbed on a silver surface to investigate the effect of the surface-adsorbate interaction on the STM image. The effect of tilting the tip is shown to depend on the nature of the tip MOs responsible for the STM current. The possibility of elucidating the site and geometry of the adsorbate by a combined use of experimental and theoretical STM images is discussed.",

author = "M. Hidaka and T. Fujita and H. Nakai and H. Nakatsuji",

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T1 - Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface

AU - Hidaka, M.

AU - Fujita, T.

AU - Nakai, H.

AU - Nakatsuji, H.

PY - 1997/1/10

Y1 - 1997/1/10

N2 - The molecular orbital (MO) model of scanning tunneling microscopy (STM) developed previously is applied to the Pd2 tip C6H6 sample system to examine the effect of tilting the tip, and to benzene adsorbed on a silver surface to investigate the effect of the surface-adsorbate interaction on the STM image. The effect of tilting the tip is shown to depend on the nature of the tip MOs responsible for the STM current. The possibility of elucidating the site and geometry of the adsorbate by a combined use of experimental and theoretical STM images is discussed.

AB - The molecular orbital (MO) model of scanning tunneling microscopy (STM) developed previously is applied to the Pd2 tip C6H6 sample system to examine the effect of tilting the tip, and to benzene adsorbed on a silver surface to investigate the effect of the surface-adsorbate interaction on the STM image. The effect of tilting the tip is shown to depend on the nature of the tip MOs responsible for the STM current. The possibility of elucidating the site and geometry of the adsorbate by a combined use of experimental and theoretical STM images is discussed.

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JF - Chemical Physics Letters

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ER -

Ab initio molecular orbital model of scanning tunneling microscopy. Benzene and benzene adsorbed on a Ag surface

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