CO adsorption on Cu–Pd alloy surfaces: ligandversus ensemble effects

Literature Information

Publication Date 2007-03-06
DOI 10.1039/B615547B
Impact Factor 3.676
Authors

Sung Sakong, Christian Mosch, Axel Groß


View Original

Abstract

The CO adsorption on ordered Cu–Pd alloy surfaces and surface alloys has been studied using density functional theory (DFT) within the framework of the generalized gradient approximation (GGA). On the surface alloys, the CO adsorption energy at the top sites decreases with increasing concentration of the more reactive metal Pd. This surprising ligand effect is caused by the effective compressive strain induced by the larger size of the Pd atoms. On the other hand, at the most favorable adsorption sites the CO binding becomes stronger with increasing Pd concentration which is caused by an ensemble effect related to the availability of higher coordinated adsorption sites. At the surfaces of the bulk alloys, the trends in the adsorption energy as a function of the Pd concentration are less clear because of the strong Pd–Cu interaction and the absence of effective strain effects.

Related Literature

Organic nitrate formation in the radical-initiated oxidation of model aerosol particles in the presence of NOx

Lindsay H. Renbaum, Geoffrey D. Smith

2009-07-22 Paper

DOI: 10.1039/B909239K

Microstructures formation by deposition of toluene drops on polystyrene surface

Guangfen Li, Karlheinz Graf

2009-06-12 Paper

DOI: 10.1039/B900911F

High performance gold nanorods and silver nanocubes in surface-enhanced Raman spectroscopy of pesticides

Jean Claudio Santos Costa, Rômulo Augusto Ando, Antonio Carlos Sant’Ana, Liane Marcia Rossi, Paulo Sérgio Santos, Márcia Laudelina Arruda Temperini, Paola Corio

2009-07-29 Paper

DOI: 10.1039/B904734D

Silver nanoparticles self assembly as SERS substrates with near single molecule detection limit

Meikun Fan, Alexandre G. Brolo

2009-07-15 Paper

DOI: 10.1039/B904744A

Front cover

Cover

DOI: 10.1039/B921057C

Reversed redox generation of silyl radicals in a four-electrode flow-through EPR spectroelectrochemical cell

Joceline Zeitouny, Viatcheslav Jouikov

2009-06-02 Paper

DOI: 10.1039/B905072H

You might also like

Compound Q&A

What is Ethyl 3-cyclohexylpropanoate (CAS: 10094-36-7)?

Ethyl 3-cyclohexylpropanoate is a clear, colorless to light yellow liquid with a...

10094-36-7Ethyl 3-cyclohexylpr...
Compound Q&A

How should waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)nicotinic acid (CAS: 34783-31-8) be handled?

Waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl...

34783-31-82-(Hydroxymethyl)-5-...
Compound Q&A

How should waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) be handled?

Waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) sho...

858-46-82,4,6-Tris(pentafluo...
Compound Q&A

What precautions should be taken when handling Chloroac-nle-oh (CAS: 56787-36-1)?

When handling Chloroac-nle-oh (CAS: 56787-36-1), it is essential to wear appropr...

56787-36-1Chloroac-nle-oh
Compound Q&A

What industries use Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 752244-05-6)?

Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate is primarily used in the...

752244-05-6Ethyl 6-phenylimidaz...
Compound Q&A

Are there alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis?

Alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis ...

55095-15-3alpha-(2-Bromophenyl...
Compound Q&A

How should waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) be handled?

Waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) should be managed...

139585-48-12-Chloro-5-methoxypy...
Compound Q&A

What industries use 1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9)?

1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9) is used in various ...

5044-27-91-(4-Methoxyphenyl)-...
Compound Q&A

Are there alternatives to 3-Bromo-5-(N-Boc)aminomethylisoxazole (CAS: 903131-45-3) in synthesis?

There are alternative reagents and compounds that can be used in the synthesis o...

903131-45-33-Bromo-5-(N-Boc)ami...
Compound Q&A

What is Tungsten(IV) oxide (CAS: 12036-22-5)?

Tungsten(IV) oxide, also known as tungsten dioxide, is a chemical compound with ...

12036-22-5Tungsten(IV) oxide

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.