Ligand and ensemble effects in adsorption on alloy surfaces

被引：477

作者：

Liu, P ^{[1
]}

Norskov, JK ^{[1
]}

机构：

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

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2001年 / 3卷 / 17期

关键词：

D O I：

10.1039/b103525h

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：

Density functional theory is used to study the adsorption of carbon monoxide, oxygen and nitrogen on various Au/Pd(111) bimetallic alloy surfaces. By varying the Au content in the surface we are able to make a clear separation into geometrical (or ensemble) effects and electronic (or ligand) effects determining the adsorption properties.

引用

页码：3814 / 3818

页数：5

共 36 条

[1] Spatially resolved chemistry on bimetallic surfaces [J].

Behm, RJ .

ACTA PHYSICA POLONICA A, 1998, 93 (02) :259-272

[2] Local order at the surface of binary alloys in relation to their chemical reactivity [J].

Bertolini, JC .

SURFACE REVIEW AND LETTERS, 1996, 3 (5-6) :1857-1868

[3] Design of a surface alloy catalyst for steam reforming [J].

Besenbacher, F ;

Chorkendorff, I ;

Clausen, BS ;

Hammer, B ;

Molenbroek, AM ;

Norskov, JK ;

Stensgaard, I .

SCIENCE, 1998, 279 (5358) :1913-1915

[4] CHEMISORPTION OF CARBON-MONOXIDE ON PALLADIUM SINGLE-CRYSTAL SURFACES - IR SPECTROSCOPIC EVIDENCE FOR LOCALIZED SITE ADSORPTION [J].

BRADSHAW, AM ;

HOFFMANN, FM .

SURFACE SCIENCE, 1978, 72 (03) :513-535

[5] Phase diagrams for surface alloys [J].

Christensen, A ;

Ruban, AV ;

Stoltze, P ;

Jacobsen, KW ;

Skriver, HL ;

Norskov, JK ;

Besenbacher, F .

PHYSICAL REVIEW B, 1997, 56 (10) :5822-5834

[6] The electrooxidation of carbon monoxide on ruthenium modified Pt(110) [J].

Davies, JC ;

Hayden, BE ;

Pegg, DJ .

ELECTROCHIMICA ACTA, 1998, 44 (6-7) :1181-1190

[7] Adsorption of CO and NO on (111) and (100) surfaces of Pd3Mn compared with Pd:: a theoretical approach [J].

Delbecq, F ;

Moraweck, B ;

Verite, L .

SURFACE SCIENCE, 1998, 396 (1-3) :156-175

[8] A photoelectron diffraction study of ordered structures in the chemisorption system Pd{111}-CO [J].

Giessel, T ;

Schaff, O ;

Hirschmugl, CJ ;

Fernandez, V ;

Schindler, KM ;

Theobald, A ;

Bao, S ;

Lindsay, R ;

Berndt, W ;

Bradshaw, AM ;

Baddeley, C ;

Lee, AF ;

Lambert, RM ;

Woodruff, DP .

SURFACE SCIENCE, 1998, 406 (1-3) :90-102

[9] Correlation between local substrate structure and local chemical properties: CO adsorption on well-defined bimetallic Au/Pd(111) surfaces [J].

Gleich, B ;

Ruff, M ;

Behm, RJ .

SURFACE SCIENCE, 1997, 386 (1-3) :48-55

[10] DEPENDENCE OF EFFECTIVE DESORPTION KINETIC-PARAMETERS ON SURFACE COVERAGE AND ADSORPTION TEMPERATURE - CO ON PD(111) [J].

GUO, XC ;

YATES, JT .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (11) :6761-6766

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