کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9595118 1507983 2005 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A LEED I-V structural determination of the c(4 × 2) Ni3O4/Pd(1 0 0) monolayer phase: an ordered array of Ni vacancies
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
A LEED I-V structural determination of the c(4 × 2) Ni3O4/Pd(1 0 0) monolayer phase: an ordered array of Ni vacancies
چکیده انگلیسی
The structure of the interface-stabilized c(4 × 2) Ni3O4/Pd(1 0 0) monolayer has been determined by using Low Energy Electron Diffraction (LEED) I-V experiments. Tensor LEED simulations converged to a Rp factor of 0.22 with a structural model based on the NiO(1 0 0) surface, where all the atoms of the oxide phase are coplanar. In order to obtain the correct c(4 × 2) periodicity of the phase, a Ni vacancy array has been introduced into the model. In details, oxygen atoms sit on top of palladium atoms, while nickel atoms occupy the fourfold hollow sites. The lattice constant of NiO was contracted in order to match the substrate periodicity, and only a very small buckling of the Ni atoms (0.04 Å) was introduced. The most relevant change with respect to a rigid NiO(1 0 0) structure is the in-plane displacement of oxygen atoms by about 0.2 Å along directions almost coinciding with the 〈0 1 0〉 substrate azimuths, away from the vacant Ni site. The proposed structure is perfectly compatible with the STM images preliminarly reported in the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 576, Issues 1–3, 10 February 2005, Pages 1-8
نویسندگان
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