Composition-dependent chemical ordering predicted in Pt–Ag nanoalloys

Literature Information

Publication Date 2023-02-14
DOI 10.1039/D2CP05829D
Impact Factor 3.676
Authors


View Original

Abstract

Pt–Ag nanoalloys display an astonishing chemical organization depending on their size and composition. Reversed size-dependent stabilization of ordered nanophases [J. Pirart et al., Nat. Commun., 2019, 10, 1982–1989] has recently been shown around equiconcentration. We extend this study by a theoretical investigation on the whole range of compositions showing a significant composition-dependent chemical ordering in Pt–Ag nanoalloys. At a low silver content, the surface exhibits a strong Ag segregation coupled to a (2 × 1) superstructure on the (100) facets. By increasing the silver concentration, the system displays an L11 ordered phase in the core, interrupted in a narrow range of concentrations by a concentric multishell structure characterized by an alternation of Ag-pure/Pt-pure concentric layers starting from the surface shell to the core. Although the L11 ordered phase has been observed experimentally, the concentric multishell structure is lacking due to the difficulty of the experimental characterization.

Related Literature

The benchmark of 31P NMR parameters in phosphate: a case study on structurally constrained and flexible phosphate

Jiří Fukal, Ondřej Páv, Miloš Buděšínský, Jakub Šebera

2017-11-13 Paper

DOI: 10.1039/C7CP06969C

Electrochemical aspects of photocatalysis: Au@FeS2 nanocomposite for removal of industrial pollutant

Gurpreet Kaur, Pooja D., Manjeet Kumar, Anup Thakur, Rajni Bala, Akshay Kumar

2017-11-16 Paper

DOI: 10.1039/C7CP06289C

Molecular dynamics simulation of geminal dicationic ionic liquids [Cn(mim)2][NTf2]2 – structural and dynamical properties

Majid Moosavi, Fatemeh Khashei, Elaheh Sedghamiz

2017-11-29 Paper

DOI: 10.1039/C7CP05681H

The effect of structural modifications on the thermal stability, melting points and ion interactions for a series of tetraaryl-phosphonium-based mesothermal ionic liquids‡

Cody A. Cassity, Benjamin Siu, Mohammad Soltani, Jimmy L. McGeehee, Katie J. Strickland, Matt Vo, E. Alan Salter, Alexandra C. Stenson, Andrzej Wierzbicki, Kevin N. West, Brooks D. Rabideau, James H. Davis, Jr.

2017-11-10 Paper

DOI: 10.1039/C7CP06278H

Construction of magnetically separable NiAl LDH/Fe3O4–RGO nanocomposites with enhanced photocatalytic performance under visible light

Jie Ni, Jinjuan Xue, LinFang Xie, Jing Shen, Guangyu He, Haiqun Chen

2017-11-13 Paper

DOI: 10.1039/C7CP06682A

Microscopic understanding of the conformational features of a protein–DNA complex

Sandip Mondal, Kaushik Chakraborty

2017-11-21 Paper

DOI: 10.1039/C7CP05161A

On the combustion mechanisms of ZrH2 in double-base propellant

Yanjing Yang, Fengqi Zhao, Zhifeng Yuan, Ying Wang, Ting An, Xueli Chen, Chunlei Xuan, Jiankan Zhang

2017-11-20 Paper

DOI: 10.1039/C7CP02593A

Probing the conformational dynamics of photosystem I in unconfined and confined spaces

Shyamtanu Chattoraj, Somen Nandi, Abhijit Saha, Kankan Bhattacharyya

2017-11-23 Paper

DOI: 10.1039/C7CP07375E

Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. I. Weak-field regime

Elisa Palacino-González, Maxim F. Gelin, Wolfgang Domcke

2017-11-20 Paper

DOI: 10.1039/C7CP04809B

You might also like

Compound Q&A

What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?

1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?

Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?

Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?

Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?

9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?

1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?

Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

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.