σ -bonding contribution of a strong π -acceptor molecule: Surface chemical bond of SO2 on Ni(100)

T. Tokushima; Keitaro Sodeyama; Yoshihisa Harada; Y. Takata; Mitsuru Nagasono; Yoshinori Kitajima; Y. Tamenori; H. Ohashi; Shinji Tsuneyuki; A. Hiraya; S. Shin

doi:10.1103/PhysRevB.78.085405

σ -bonding contribution of a strong π -acceptor molecule: Surface chemical bond of SO2 on Ni(100)

T. Tokushima, Keitaro Sodeyama, Yoshihisa Harada, Y. Takata, Mitsuru Nagasono, Yoshinori Kitajima, Y. Tamenori, H. Ohashi, Shinji Tsuneyuki, A. Hiraya, S. Shin

Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

Sammanfattning

We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.

Originalspråk	engelska
Artikelnummer	085405
Tidskrift	Physical Review B - Condensed Matter and Materials Physics
Volym	78
Nummer	8
DOI	https://doi.org/10.1103/PhysRevB.78.085405
Status	Published - 2008 aug. 6
Externt publicerad	Ja

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Tokushima, T., Sodeyama, K., Harada, Y., Takata, Y., Nagasono, M., Kitajima, Y., Tamenori, Y., Ohashi, H., Tsuneyuki, S., Hiraya, A., & Shin, S. (2008). σ -bonding contribution of a strong π -acceptor molecule: Surface chemical bond of SO2 on Ni(100). Physical Review B - Condensed Matter and Materials Physics, 78(8), Artikel 085405. https://doi.org/10.1103/PhysRevB.78.085405

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abstract = "We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.",

author = "T. Tokushima and Keitaro Sodeyama and Yoshihisa Harada and Y. Takata and Mitsuru Nagasono and Yoshinori Kitajima and Y. Tamenori and H. Ohashi and Shinji Tsuneyuki and A. Hiraya and S. Shin",

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T2 - Surface chemical bond of SO2 on Ni(100)

AU - Tokushima, T.

AU - Sodeyama, Keitaro

AU - Harada, Yoshihisa

AU - Takata, Y.

AU - Nagasono, Mitsuru

AU - Kitajima, Yoshinori

AU - Tamenori, Y.

AU - Ohashi, H.

AU - Tsuneyuki, Shinji

AU - Hiraya, A.

AU - Shin, S.

PY - 2008/8/6

Y1 - 2008/8/6

N2 - We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.

AB - We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.

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JO - Physical Review B - Condensed Matter and Materials Physics

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σ -bonding contribution of a strong π -acceptor molecule: Surface chemical bond of SO2 on Ni(100)

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