The structure of the chiral Pt{531} surface: A combined LEED and DFT study
Article Abstract:
The structure of the chiral kinked Pt{531} surfaces by low-energy electron diffraction intensity-versus-energy (LEED-IV) analysis and density functional theory (DFT) is conducted. The coordination and expansion of the surface atoms in the 6-fold coordinated 'kink atoms' is not affected by the relaxations and so Pt {531} is expected to be more relative than the flat surface and the agreements between the results from LEED and DFT is not good as other cases.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Adsorption of cyclopentene on Pt(111) and ordered Pt(sub n)Sn/Pt(111) surface alloys
Article Abstract:
The adsorption of cyclopentene on Pt(111) and ordered Pt(sub n)Sn/Pt(111) surface alloys are examined by using high-resolution electron energy loss spectroscopy as well as ab initio density functional theory calculations. On the Pt(11) and the respective surface alloys, a di-sigma bonding of cyclopentene is found both experimentally as well as in the DFT calculations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Strong support effects on the insulator to metal transition in supported Pt clusters as observed by X-ray absorption spectroscopy
Article Abstract:
The development of a new in situ probe of metallic character in supported metal clusters utilizing X-ray absorption spectroscopy is described. The results give a fair idea about the effects the support can have on the metallic and electronic characteristics of metallic clusters.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
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