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

被引：28

作者：

Guo, Donghui ^{[1
]}

Nakagawa, Yuta ^{[2
]}

Ariga, Hiroko ^{[1
]}

Suzuki, Shushi ^{[3
]}

Kinoshita, Kumiko ^{[4
]}

Miyamoto, Takeshi ^{[2
]}

Takakusagi, Satoru ^{[1
,2
]}

Asakura, Kiyotaka ^{[1
,2
]}

Otani, Shigeki ^{[5
]}

Oyama, S. Ted ^{[6
]}

机构：

[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

来源：

SURFACE SCIENCE | 2010年 / 604卷 / 17-18期

关键词：

Nickel phosphide; Scanning tunneling microscopy; Surface relaxation and reconstruction; Density functional calculations; Low index single crystal surfaces; SCANNING-TUNNELING-MICROSCOPY; PHOTOEMISSION; CATALYSTS;

D O I：

10.1016/j.susc.2010.03.024

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

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.

引用

页码：1347 / 1352

页数：6

共 23 条

[1]

Blaha P., 2001, CALCULATING CRYST PR, V60

[2] X-ray Photoelectron and Absorption Spectroscopy of Metal-Rich Phosphides M2P and M3P (M = Cr-Ni) [J].

Blanchard, Peter E. R. ;

Grosvenor, Andrew P. ;

Cavell, Ronald G. ;

Mar, Arthur .

CHEMISTRY OF MATERIALS, 2008, 20 (22) :7081-7088

[3] Semiconductor surface reconstruction: The structural chemistry of two-dimensional surface compounds [J].

Duke, CB .

CHEMICAL REVIEWS, 1996, 96 (04) :1237-1259

[4] Soft X-ray photoelectron spectroscopy study of Ni2P(0001) [J].

Edamoto, K. ;

Nakadai, Y. ;

Inomata, H. ;

Ozawa, K. ;

Otani, S. .

SOLID STATE COMMUNICATIONS, 2008, 148 (3-4) :135-138

[5]

EDAMOTO K, 2009, SURF SCI NANOTECH, V7, P1

[6] RECONSTRUCTION MECHANISM OF FCC TRANSITION-METAL (001) SURFACES [J].

FIORENTINI, V ;

METHFESSEL, M ;

SCHEFFLER, M .

PHYSICAL REVIEW LETTERS, 1993, 71 (07) :1051-1054

[7] Photoemission and LEED characterization of Ni2P(0001) [J].

Kanama, D ;

Oyama, ST ;

Otani, S ;

Cox, DF .

SURFACE SCIENCE, 2004, 552 (1-3) :8-16

[8] A scanning tunneling microscopy observation of (√3 x √3) R30° reconstructed Ni2P(0001) [J].

Kinoshita, Kumiko ;

Simon, Georg Hermann ;

Koenig, Thomas ;

Heyde, Markus ;

Freund, Hans-Joachim ;

Nakagawa, Yuta ;

Suzuki, Shushi ;

Chun, Wan-Jae ;

Oyama, Shiaeo Ted ;

Otani, Shigeki ;

Asakura, Kiyotaka .

JAPANESE JOURNAL OF APPLIED PHYSICS, 2008, 47 (07) :6088-6091

[9] First-principles study of Ni2P (0001) surfaces [J].

Li, Qunxiang ;

Hu, Xiao .

PHYSICAL REVIEW B, 2006, 74 (03)

[10] Catalysts for hydrogen evolution from the [NiFe] hydrogenase to the Ni2P(001) surface:: The importance of ensemble effect [J].

Liu, P ;

Rodriguez, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (42) :14871-14878

← 1 2 3 →