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STM studies on the reconstruction of the Ni2P (101[-]0) surface

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Title: STM studies on the reconstruction of the Ni2P (101[-]0) surface
Authors: Guo, Donghui Browse this author
Nakagawa, Yuta Browse this author
Ariga, Hiroko Browse this author
Suzuki, Shushi Browse this author
Kinoshita, Kumiko Browse this author
Miyamoto, Takeshi Browse this author
Takakusagi, Satoru Browse this author →KAKEN DB
Asakura, Kiyotaka Browse this author
Otani, Shigeki Browse this author
Oyama, S. Ted Browse this author
Keywords: Nickel phosphide
Scanning tunneling microscopy
Surface relaxation and reconstruction
Density functional calculations
Low index single crystal surfaces
Issue Date: 30-Aug-2010
Publisher: Elsevier B.V.
Journal Title: Surface Science
Volume: 604
Issue: 17-18
Start Page: 1347
End Page: 1352
Publisher DOI: 10.1016/j.susc.2010.03.024
Abstract: The surface structure of Ni2P (101[-]0), a model for highly active hydrodesulfurization catalysts, was studied using scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) in order to understand the reconstruction of the surface layers. Annealing at 573 K revealed a (1 x 1) LEED pattern which changed to a c(2 x 4) arrangement by further heating to 723 K. Atomic scale STM images were obtained for both the (1 x 1) and c(2 x 4) structures. Bright spots observed in the STM images were interpreted to be due to surface phosphorus atoms and this was supported by a density functional theory (DFT) simulation. Several possible models for the c(2 x 4) reconstructed structures were proposed including a P-dimer defect model, a missing-row model and a missing-row + added row model. The last model gave the best explanation for the c(2 x 4) structure. The mechanism for the c(2 x 4) reconstruction on the Ni2P (101[-]0) surface is discussed.
Type: article (author version)
Appears in Collections:触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 朝倉 清高

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