Theoretical vibrational frequencies for NHX and CHX reactive intermediates on nickel(100) and nickel(111) surfaces

John J. Low; William A. Goddard

doi:10.1016/0368-2048(83)85028-2

Theoretical vibrational frequencies for NH_X and CH_X reactive intermediates on nickel(100) and nickel(111) surfaces

John J. Low
, William A. Goddard

California Institute of Technology

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

Abstract

Theoretical studies have been performed on CH_X and NH_X species chemisorbed on threefold and fourfold sites of nickel clusters. From this work we have obtained geometries and vibrational frequencies that can be compared with experimental data concerning these species chemisorbed on Ni(100) and Ni(111) surfaces. These results can be used to help assign the observed losses in EELS spectra for CH on the Ni(111) surface.

Original language	English
Pages (from-to)	27
Number of pages	1
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	30
Issue number	1
DOIs	https://doi.org/10.1016/0368-2048(83)85028-2
Publication status	Published - 1 Jan 1983
Externally published	Yes

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title = "Theoretical vibrational frequencies for NHX and CHX reactive intermediates on nickel(100) and nickel(111) surfaces",

abstract = "Theoretical studies have been performed on CHX and NHX species chemisorbed on threefold and fourfold sites of nickel clusters. From this work we have obtained geometries and vibrational frequencies that can be compared with experimental data concerning these species chemisorbed on Ni(100) and Ni(111) surfaces. These results can be used to help assign the observed losses in EELS spectra for CH on the Ni(111) surface.",

author = "Low, \{John J.\} and Goddard, \{William A.\}",

year = "1983",

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doi = "10.1016/0368-2048(83)85028-2",

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journal = "Journal of Electron Spectroscopy and Related Phenomena",

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T1 - Theoretical vibrational frequencies for NHX and CHX reactive intermediates on nickel(100) and nickel(111) surfaces

AU - Low, John J.

AU - Goddard, William A.

PY - 1983/1/1

Y1 - 1983/1/1

N2 - Theoretical studies have been performed on CHX and NHX species chemisorbed on threefold and fourfold sites of nickel clusters. From this work we have obtained geometries and vibrational frequencies that can be compared with experimental data concerning these species chemisorbed on Ni(100) and Ni(111) surfaces. These results can be used to help assign the observed losses in EELS spectra for CH on the Ni(111) surface.

AB - Theoretical studies have been performed on CHX and NHX species chemisorbed on threefold and fourfold sites of nickel clusters. From this work we have obtained geometries and vibrational frequencies that can be compared with experimental data concerning these species chemisorbed on Ni(100) and Ni(111) surfaces. These results can be used to help assign the observed losses in EELS spectra for CH on the Ni(111) surface.

UR - https://www.scopus.com/pages/publications/49049127288

U2 - 10.1016/0368-2048(83)85028-2

DO - 10.1016/0368-2048(83)85028-2

M3 - Article

AN - SCOPUS:49049127288

SN - 0368-2048

VL - 30

SP - 27

JO - Journal of Electron Spectroscopy and Related Phenomena

JF - Journal of Electron Spectroscopy and Related Phenomena

IS - 1

ER -

Theoretical vibrational frequencies for NH_X and CH_X reactive intermediates on nickel(100) and nickel(111) surfaces

Abstract

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