Role of steps in N2 activation on Ru(0001)

被引：687

作者：

Dahl, S ^{[1
]}

Logadottir, A

Egeberg, RC

Larsen, JH

Chorkendorff, I

Törnqvist, E

Norskov, JK

机构：

[1] Tech Univ Denmark, Ctr Atom Scale Mat Phys, Dept Phys, DK-2800 Lyngby, Denmark

[2] Tech Univ Denmark, Interdisciplinary Res Ctr Catalysis, DK-2800 Lyngby, Denmark

[3] Haldor Topsoe Res Labs, DK-2800 Lyngby, Denmark

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.83.1814

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using adsorption experiments and density functional calculations we show that N-2 dissociation on the Ru(0001) surface is totally dominated by steps. The measured adsorption rate at the steps is at least 9 orders of magnitude higher than on the terraces at 500 K, and the corresponding calculated difference in activation energy is 1.5 eV. The low barrier at the step is shown to be due to a combination of electronic and geometrical effects. The consequences for Ru as a catalyst for ammonia synthesis are discussed.

引用

页码：1814 / 1817

页数：4

共 25 条

[1] [Anonymous], CHEM PHYSICS SOLID S
[2] The synthesis of ammonia over a ruthenium single crystal
Dahl, S
Taylor, PA
Tornqvist, E
Chorkendorff, I
[J]. JOURNAL OF CATALYSIS, 1998, 178 (02) : 679 - 686
[3] Sticking coefficient for dissociative adsorption of N-2 on Ru single-crystal surfaces
Dietrich, H
Geng, P
Jacobi, K
Ertl, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (01) : 375 - 381
[4] Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
Hammer, B
Hansen, LB
Norskov, JK
[J]. PHYSICAL REVIEW B, 1999, 59 (11) : 7413 - 7421
[5] Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces
Hammer, B
Nielsen, OH
Norskov, JK
[J]. CATALYSIS LETTERS, 1997, 46 (1-2) : 31 - 35
[6] Reactivity of a stepped surface - NO dissociation on Pd(211)
Hammer, B
[J]. FARADAY DISCUSSIONS, 1998, 110 : 323 - 333
[7] The kinetics of ammonia synthesis over Ru-based catalysts .1. The dissociative chemisorption and associative desorption of N-2
Hinrichsen, O
Rosowski, F
Hornung, A
Muhler, M
Ertl, G
[J]. JOURNAL OF CATALYSIS, 1997, 165 (01) : 33 - 44
[8] FRACTAL GROWTH OF 2-DIMENSIONAL ISLANDS - AU ON RU(0001)
HWANG, RQ
SCHRODER, J
GUNTHER, C
BEHM, RJ
[J]. PHYSICAL REVIEW LETTERS, 1991, 67 (23) : 3279 - 3282
[9] Highly site-specific H2 adsorption on vicinal Si(001) surfaces
Kratzer, P
Pehlke, E
Scheffler, M
Raschke, MB
Höfer, U
[J]. PHYSICAL REVIEW LETTERS, 1998, 81 (25) : 5596 - 5599
[10] LOW-ENERGY ELECTRON-DIFFRACTION STUDIES OF CHEMISORBED GASES ON STEPPED SURFACES OF PLATINUM
LANG, B
JOYNER, RW
SOMORJAI, GA
[J]. SURFACE SCIENCE, 1972, 30 (02) : 454 - &

← 1 2 3 →