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

10 Scopus citations

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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