Molecular adsorption bond lengths at metal oxide surfaces: Failure of current theoretical methods
| العنوان: | Molecular adsorption bond lengths at metal oxide surfaces: Failure of current theoretical methods |
|---|---|
| المؤلفون: | Martin Kittel, Martin Polcik, Jon Tobias Hoeft, David Phillip Woodruff, Christine L. A. Lamont, S. Bao, Mathieu Pascal, J.-H. Kang, Rachel L. Toomes |
| المصدر: | Physical Review Letters Scopus-Elsevier |
| سنة النشر: | 2001 |
| مصطلحات موضوعية: | Molecular adsorption, Materials science, Non-blocking I/O, Oxide, General Physics and Astronomy, Nanotechnology, Sorption, Bond length, Metal, chemistry.chemical_compound, Adsorption, chemistry, visual_art, visual_art.visual_art_medium, Physical chemistry, Current (fluid) |
| الوصف: | New experimental structure determinations for molecular adsorbates on NiO(100) reveal much shorter Ni-C and Ni-N bond lengths for adsorbed CO and NH3 as well as NO (2.07, 1.88, 2.07 A) than previously computed theoretical values, with discrepancies up to 0.79 A, highlighting a major weakness of current theoretical descriptions of oxide-molecule bonding. Comparisons with experimentally determined bond lengths of the same species adsorbed atop Ni on metallic Ni(111) show values on the oxide surface that are consistently larger (0.1-0.3 A) than on the metal, indicating somewhat weaker bonding. |
| وصف الملف: | application/pdf |
| اللغة: | English |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f2ca1495454f83cfaa340a015685ae0Test https://hdl.handle.net/11858/00-001M-0000-0011-1A32-411858/00-001M-0000-0026-D03D-CTest |
| حقوق: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....1f2ca1495454f83cfaa340a015685ae0 |
| قاعدة البيانات: | OpenAIRE |
| الوصف غير متاح. |