Physical and Chemical Nature of the Scaling Relations between Adsorption Energies of Atoms on Metal Surfaces

被引：252

作者：

Calle-Vallejo, F. ^{[1
]}

Martinez, J. I. ^{[2
,3
]}

Garcia-Lastra, J. M. ^{[3
]}

Rossmeisl, J. ^{[3
]}

Koper, M. T. M. ^{[1
]}

机构：

[1] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands

[2] UAM, Dept Fis Teor Mat Condensada, ES-28049 Madrid, Spain

[3] DTU, Ctr Atom Scale Mat Design, Dept Phys, DK-2800 Lyngby, Denmark

来源：

PHYSICAL REVIEW LETTERS | 2012年 / 108卷 / 11期

关键词：

TRANSITION-METALS; CATALYSIS; ALLOY; PT(111); OXIDE; RULE;

D O I：

10.1103/PhysRevLett.108.116103

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Despite their importance in physics and chemistry, the origin and extent of the scaling relations between the energetics of adsorbed species on surfaces remain elusive. We demonstrate here that scalability is not exclusive to adsorbed atoms and their hydrogenated species but rather a general phenomenon between any set of adsorbates bound similarly to the surface. On the example of the near-surface alloys of Pt, we show that scalability is a result of identical variations of adsorption energies with respect to the valence configuration of both the surface components and the adsorbates.

引用

页数：5

共 28 条

[1] Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces [J].

Abild-Pedersen, F. ;

Greeley, J. ;

Studt, F. ;

Rossmeisl, J. ;

Munter, T. R. ;

Moses, P. G. ;

Skulason, E. ;

Bligaard, T. ;

Norskov, J. K. .

PHYSICAL REVIEW LETTERS, 2007, 99 (01)

[2] Adsorption-Driven Surface Segregation of the Less Reactive Alloy Component [J].

Andersson, Klas J. ;

Calle-Vallejo, Federico ;

Rossmeisl, Jan ;

Chorkendorff, Lb .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (06) :2404-2407

[3] Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions [J].

Calle-Vallejo, Federico ;

Ignacio Martinez, Jose ;

Rossmeisl, Jan .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (34) :15639-15643

[4] Trends in Stability of Perovskite Oxides [J].

Calle-Vallejo, Federico ;

Martinez, Jose I. ;

Garcia-Lastra, Juan M. ;

Mogensen, Mogens ;

Rossmeisl, Jan .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (42) :7699-7701

[5] Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces [J].

Fernandez, Eva M. ;

Moses, Poul G. ;

Toftelund, Anja ;

Hansen, Heine A. ;

Martinez, Jose I. ;

Abild-Pedersen, Frank ;

Kleis, Jesper ;

Hinnemann, Berit ;

Rossmeisl, Jan ;

Bligaard, Thomas ;

Norskov, Jens K. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2008, 47 (25) :4683-4686

[6] Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4 [J].

Grabow, Lars C. ;

Studt, Felix ;

Abild-Pedersen, Frank ;

Petzold, Vivien ;

Kleis, Jesper ;

Bligaard, Thomas ;

Norskov, Jens K. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (20) :4601-4605

[7]

Hammer B, 2000, ADV CATAL, V45, P71

[8] Electrochemical chlorine evolution at rutile oxide (110) surfaces [J].

Hansen, Heine A. ;

Man, Isabela C. ;

Studt, Felix ;

Abild-Pedersen, Frank ;

Bligaard, Thomas ;

Rossmeisl, Jan .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2010, 12 (01) :283-290

[9] Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces [J].

Jones, Glenn ;

Studt, Felix ;

Abild-Pedersen, Frank ;

Norskov, Jens K. ;

Bligaard, Thomas .

CHEMICAL ENGINEERING SCIENCE, 2011, 66 (24) :6318-6323

[10] Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces [J].

Kitchin, JR ;

Norskov, JK ;

Barteau, MA ;

Chen, JG .

PHYSICAL REVIEW LETTERS, 2004, 93 (15) :156801-1

← 1 2 3 →