Illuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy

Literature Information

Publication Date 2014-07-16
DOI 10.1039/C4CP02146K
Impact Factor 3.676
Authors

Charles S. Spanjers, Thomas P. Senftle, Adri C. T. van Duin, Michael J. Janik, Anatoly I. Frenkel, Robert M. Rioux


View Original

Abstract

We use differential extended X-ray absorption fine structure (Δ-EXAFS) to monitor the Ar-induced surface restructuring of silica-supported Pd nanoclusters (1 nm diameter) at 77 K. Δ-EXAFS analysis shows 9 ± 2 nearest-neighbor Pd–Pd bonds expand by 0.104 ± 0.005 Å as a result of Ar adsorption. Atomistic molecular dynamics simulations provide evidence for a model in which Ar drives restructuring of under-coordinated Pd atoms, leading to an increased Pd–Pd bond length of surface Pd atoms with no change in overall nearest-neighbor Pd–Pd coordination number. Based on observations from the atomistic simulations, it is likely that under-coordinated atoms are trapped in metastable states at 77 K and Ar provides the kinetic energy needed to overcome the barrier for surface restructuring. Together, experiment and theory highlight the ability of Δ-EXAFS to probe surface atoms of Pd nanoclusters.

Related Literature

Back cover

Cover

DOI: 10.1039/C5CP90141C

Topography evolution of 500 keV Ar4+ ion beam irradiated InP(100) surfaces – formation of self-organized In-rich nano-dots and scaling laws

Indra Sulania, Dinesh C. Agarwal, Manish Kumar, Sunil Kumar, Pravin Kumar

2016-07-04 Paper

DOI: 10.1039/C6CP03409H

Molecular basis for competitive solvation of the Burkholderia cepacia lipase by sorbitol and urea

Ivan P. Oliveira, Leandro Martínez

2016-07-08 Paper

DOI: 10.1039/C6CP01789D

Complexes of a naphthalimide photoacid with organic bases, and their excited-state dynamics in polar aprotic organic solvents

Tatu Kumpulainen, Bert H. Bakker, Albert M. Brouwer

2015-07-17 Paper

DOI: 10.1039/C5CP02556G

Reverse solvatochromism in solvent binary mixtures: a case study using a 4-(nitrostyryl)phenolate as a probe

Rafaela I. Stock, Adriana D. S. Schramm, Marcos C. Rezende, Vanderlei G. Machado

2016-07-05 Communication

DOI: 10.1039/C6CP03875A

Molecular pillar supported graphene oxide framework: conformational heterogeneity and tunable d-spacing

Harshal P. Mungse, Raghuvir Singh, Hiroyuki Sugimura, N. Kumar, Om P. Khatri

2015-07-15 Paper

DOI: 10.1039/C5CP02313K

Experimental approach to the fundamental limit of the extinction coefficients of ultra-smooth and highly spherical gold nanoparticles

Dong-Kwan Kim, Yoon Jo Hwang, Cheolho Yoon, Hye-On Yoon, Ki Soo Chang, Gi-Ra Yi

2015-07-17 Paper

DOI: 10.1039/C5CP02968F

The crystal structure and chemical state of aluminum-doped hydroxyapatite by experimental and first principles calculation studies

Ming Wang, Liping Wang, Chao Shi, Tian Sun, Yingchun Zhu

2016-07-11 Paper

DOI: 10.1039/C6CP03230C

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.