Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism

Yong Su Kim; Sang Ho Jeon; Aaron Bostwick; Eli Rotenberg; Philip N. Ross; Andrew L. Walter; Young Jun Chang; Vojislav R. Stamenkovic; Nenad M. Markovic; Tae Won Noh; Seungwu Han; Bongjin Simon Mun

doi:10.1039/c3cp53376j

Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism

Yong Su Kim, Sang Ho Jeon, Aaron Bostwick, Eli Rotenberg, Philip N. Ross, Andrew L. Walter, Young Jun Chang, Vojislav R. Stamenkovic, Nenad M. Markovic, Tae Won Noh, Seungwu Han, Bongjin Simon Mun

Department of Physics

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

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Abstract

We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that d_xz (d _yz) and dz² orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the d_xz (d_yz) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer.

Original language	English
Pages (from-to)	19019-19023
Number of pages	5
Journal	Physical Chemistry Chemical Physics
Volume	15
Issue number	43
DOIs	https://doi.org/10.1039/c3cp53376j
State	Published - 21 Nov 2013

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Kim, Y. S., Jeon, S. H., Bostwick, A., Rotenberg, E., Ross, P. N., Walter, A. L., Chang, Y. J., Stamenkovic, V. R., Markovic, N. M., Noh, T. W., Han, S., & Mun, B. S. (2013). Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism. Physical Chemistry Chemical Physics, 15(43), 19019-19023. https://doi.org/10.1039/c3cp53376j

@article{85e5208d702a44bea48f6e1fee6f7a5b,

title = "Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism",

abstract = "We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that dxz (d yz) and dz2 orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the dxz (dyz) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer.",

author = "Kim, \{Yong Su\} and Jeon, \{Sang Ho\} and Aaron Bostwick and Eli Rotenberg and Ross, \{Philip N.\} and Walter, \{Andrew L.\} and Chang, \{Young Jun\} and Stamenkovic, \{Vojislav R.\} and Markovic, \{Nenad M.\} and Noh, \{Tae Won\} and Seungwu Han and Mun, \{Bongjin Simon\}",

year = "2013",

month = nov,

day = "21",

doi = "10.1039/c3cp53376j",

language = "English",

volume = "15",

pages = "19019--19023",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "43",

}

Kim, YS, Jeon, SH, Bostwick, A, Rotenberg, E, Ross, PN, Walter, AL, Chang, YJ, Stamenkovic, VR, Markovic, NM, Noh, TW, Han, S & Mun, BS 2013, 'Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism', Physical Chemistry Chemical Physics, vol. 15, no. 43, pp. 19019-19023. https://doi.org/10.1039/c3cp53376j

TY - JOUR

T1 - Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism

AU - Kim, Yong Su

AU - Jeon, Sang Ho

AU - Bostwick, Aaron

AU - Rotenberg, Eli

AU - Ross, Philip N.

AU - Walter, Andrew L.

AU - Chang, Young Jun

AU - Stamenkovic, Vojislav R.

AU - Markovic, Nenad M.

AU - Noh, Tae Won

AU - Han, Seungwu

AU - Mun, Bongjin Simon

PY - 2013/11/21

Y1 - 2013/11/21

N2 - We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that dxz (d yz) and dz2 orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the dxz (dyz) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer.

AB - We report on the chemical adsorption mechanism of atomic oxygen on the Pt(111) surface using angle-resolved-photoemission spectroscopy (ARPES) and density functional calculations. The detailed band structure of Pt(111) from ARPES reveals that most of the bands near the Fermi level are surface-states. By comparing band maps of Pt and O/Pt, we identify that dxz (d yz) and dz2 orbitals are strongly correlated in the surface-states around the symmetry point M and K, respectively. Additionally, we demonstrate that the s- or p-orbital of oxygen atoms hybridizes preferentially with the dxz (dyz) orbital near the M symmetry point. This weak hybridization occurs with minimal charge transfer.

UR - https://www.scopus.com/pages/publications/84886914205

U2 - 10.1039/c3cp53376j

DO - 10.1039/c3cp53376j

M3 - Article

AN - SCOPUS:84886914205

SN - 1463-9076

VL - 15

SP - 19019

EP - 19023

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 43

ER -

Role of preferential weak hybridization between the surface-state of a metal and the oxygen atom in the chemical adsorption mechanism

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