Towards ultra small noble metal nanoparticles: testing Jellium model for ligand protected copper and silver M13 core nanoparticles

Literature Information

Publication Date 2011-01-05
DOI 10.1039/C0CP00522C
Impact Factor 3.676
Authors

Ruibin Dong, Xiaoshuang Chen, Huxian Zhao, Xiaofang Wang, Haibo Shu, Zonglin Ding, Lu Wei


View Original

Abstract

The bare M5+13 and ligand-protected nanoparticles M25(SR)−18 and M13(PR)10Cl3+2 (M = Au, Ag, Cu) are investigated using the density functional theory. There are strong interactions between the metal core atoms and the ligands. It is found that the electronic structures agree well with the Jellium model for gold and copper nanoparticles. The superatoms's S and P orbitals are shown. However for silver ones, as the adding of the ligands, the S orbital of the nanoparticle disappears. The binding energy of these nanoparticles are also obtained by our calculation. The Au nanoparticles are most stable, the Cu ones take second place, and the Ag ones are the third stable. Our results could be essential for further understanding of the properties of ligand-protected isolated superatoms.

Related Literature

Free ions in kerosene-based ferrofluid detected by impedance spectroscopy

F. Batalioto, A. F. C. Campos, A. M. Figueiredo Neto

2021-01-14 Paper

DOI: 10.1039/D0CP05865C

Quantum spin Hall insulators and topological Rashba-splitting edge states in two-dimensional CX3 (X = Sb, Bi)

Shan-Shan Wang, Wencong Sun, Shuai Dong

2020-12-21 Paper

DOI: 10.1039/D0CP05374K

On the physicochemical origin of nanoscale friction: the polarizability and electronegativity relationship tailoring nanotribology

Leonardo M. Leidens, Marcelo E. H. Maia da Costa, Neileth S. Figueroa, Rodrigo A. Barbieri, Fernando Alvarez, Alexandre F. Michels

2021-01-02 Paper

DOI: 10.1039/D0CP06436J

Tandem solar cells efficiency prediction and optimization via deep learning

Chuqiao Yi, Yuliang Wu, Yayu Gao, Qingguo Du

2020-12-09 Paper

DOI: 10.1039/D0CP05882C

Towards peptide-based tunable multistate memristive materials

Salvador Cardona-Serra, Lorena E. Rosaleny, Silvia Giménez-Santamarina, Luis Martínez-Gil, Alejandro Gaita-Ariño

2020-12-16 Perspective

DOI: 10.1039/D0CP05236A

The spin-dependent transport properties of defected zigzag graphene nanoribbons with graphene nanobubbles

Yun Ni, Jia Li, Wei Tao, Hao Ding, Rui-Xue Li

2021-01-07 Paper

DOI: 10.1039/D0CP05640E

Multi-phonon proton transfer pathway in a molecular organic ferroelectric crystal

Matthew T. O. Okenyi, Laura E. Ratcliff

2021-01-11 Paper

DOI: 10.1039/D0CP04236F

TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation

Vinícius Vaz da Cruz, Sebastian Eckert

2020-10-19 Paper

DOI: 10.1039/D0CP04726K

Stability and superconductivity of Ca-intercalated bilayer blue phosphorene

Artur P. Durajski, Kamil M. Skoczylas, Radosław Szczęśniak

2021-01-05 Paper

DOI: 10.1039/D0CP05984F

You might also like

Compound Q&A

How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?

Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...

59713-58-5Ethyl 4-chlorothieno...
Compound Q&A

What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?

5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...

52562-50-25-Methyl-1H-indole-3...
Compound Q&A

What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?

(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...

223418-73-3(1,3-Dimethyl-2,4-di...
Compound Q&A

How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?

Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...

1016983-51-9Sulfocostunolide A
Compound Q&A

What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?

When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...

88478-44-8Murraxocin
Compound Q&A

What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?

Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...

63148-64-1Formvar(R)
Compound Q&A

Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?

(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...

205242-66-6(S)-4-benzyl-2-((ben...
Compound Q&A

What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?

Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...

1447607-69-3Methyl 1-(5-bromo-2-...
Compound Q&A

Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?

2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...

24290-47-92-Methyl-1-phenyl-1-...
Compound Q&A

How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?

3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...

66735-01-13-(4-Bromophenyl)-2-...

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.