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Electronic and Geometric Structure of Methyl Oxirane Adsorbed on Si (100) 2 × 1
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics.
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2007 (English)In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 254, no 1, 108-112 p.Article in journal (Refereed) Published
Abstract [en]

Electronic and geometric properties of the adsorbate–substrate complex formed upon adsorption of methyl oxirane on Si(1 0 0)2 × 1 at room temperature is reported, obtained with synchrotron radiation-induced valence and core-level photoemission. A ring-opening reaction is demonstrated to occur, followed by a five-membered ring formation involving two of the Si surface atoms bound to a surface dimer. Core-level photoemission spectra support the ring-opening reaction and the SiO and SiC bond formation, while from the valence spectra a more extended molecular fragmentation can be ruled out. We discuss the most likely geometry of the five-membered ring.

Place, publisher, year, edition, pages
2007. Vol. 254, no 1, 108-112 p.
Keyword [en]
Adsorption, Electronic structure, Geometrical structure, Semiconductors
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-96990DOI: 10.1016/j.apsusc.2007.07.070ISI: 000250800100025OAI: oai:DiVA.org:uu-96990DiVA: diva2:171748
Available from: 2008-04-03 Created: 2008-04-03 Last updated: 2011-12-02
In thesis
1. Synchrotron Radiation Studies of Free and Adsorbed Molecules
Open this publication in new window or tab >>Synchrotron Radiation Studies of Free and Adsorbed Molecules
2008 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

This thesis contains two parts. The first part concerns the research work on free molecules using synchrotron-radiation-related techniques. Auger electron spectra of two free open-shell molecules, O2 and NO, were studied experimentally and theoretically. Photoionization experimental technique with tunable synchrotron radiation source was used to induce core-level electron ionization and obtain the KVV normal Auger electron spectra. A quantitative assignment of O2 normal Auger spectrum was obtained by applying ab initio CI calculations and LVI Auger line shape simulations including the bond length dependence of Auger transition rates. The photon energy dependence of normal Auger electron spectra was focused on with photon energies in the vicinities of core-ionization threshold energies. Consequently, the MAPCI (Molecular Auger Post Collision Interaction) theory was developed. Taking the near-threshold O2 normal Auger spectrum as an example, the two extreme cases of MAPCI effect, “atomic-like PCI” and “molecular PCI”, were discovered and discussed. The effect of shape resonance on near-threshold molecular normal Auger spectrum was discussed taking NO near threshold normal Auger spectra as example.

The second part deals with research work on the chemisorption of small epoxy organic molecules, ethylene oxide, methyl oxirane, on Si (100) surfaces. Synchrotron radiation related techniques, UPS, XPS and NEXAFS, were applied. Based on the valence photoemission spectra, C 1s and Si 2p XPS spectra, the epoxy ring opening reactions of these molecules in chemisorption process were proved. Further tentative search for the surface-adsorbate CDAD effect was performed, and no evident circular dichroism was confirmed.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2008. xiv, 55 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 420
Physics, Synchrotron radiation, Auger electron spectroscopy, one-step model, Post Collision Interaction (PCI), theoretical modeling, molecules, adsorbates, UPS, XPS, XAS, NEXAFS, Fysik
urn:nbn:se:uu:diva-8610 (URN)978-91-554-7150-7 (ISBN)
Public defence
2008-04-25, Polhemsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 13:15
Available from: 2008-04-03 Created: 2008-04-03Bibliographically approved

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