STM studies on the reconstruction of the Ni2P (10(1)over-bar0) surface

SURFACE SCIENCE

卷:604

Article

Guo, Donghui¹  Nakagawa, Yuta²  Ariga, Hiroko¹  Suzuki, Shushi³  Kinoshita, Kumiko⁴  Miyamoto, Takeshi²  Takakusagi, Satoru^1,2  Asakura, Kiyotaka^1,2  Otani, Shigeki⁵  Oyama, S. Ted⁶ 

[1] Hokkaido Univ, Catalysis Res Ctr, Sect Surface Struct Chem, Sapporo, Hokkaido 0010021, Japan

[2] Hokkaido Univ, Grad Sch Engn, Dept Quantum Sci & Technol, Kita Ku, Sapporo, Hokkaido 0010021, Japan

[3] Nagoya Univ, Grad Sch Engn, Dept Crystalline Mat Sci, Chikusa Ku, Nagoya, Aichi 4648603, Japan

[4] Japan Fine Ceram Ctr, Environm Mat Dev Mat Res & Dev Lab, Nagoya, Aichi 4568587, Japan

[5] Natl Inst Mat Sci, Tsukuba, Ibaraki 305, Japan

[6] Virginia Tech, Dept Chem Engn, Environm Catalysis & Nanomat Lab, Blacksburg, VA USA

关键词: Nickel phosphide;    Scanning tunneling microscopy;    Surface relaxation and reconstruction;    Density functional calculations;    Low index single crystal surfaces;   

DOI  :  10.1016/j.susc.2010.03.024

来源: Elsevier

【 摘 要 】

The surface structure of Ni2P (10 (1) over bar0), 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 (INT) 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 (10 (1) over bar0) surface is discussed. (C) 2010 Elsevier B.V. All rights reserved.

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