Diffusion of adsorbates on single crystal surfaces of square symmetry: finite-size scaling and the thermodynamic limit

Literature Information

Publication Date 2002-04-04
DOI 10.1039/B110413F
Impact Factor 3.676
Authors

C. Uebing


View Original

Abstract

We investigate the influence of different diffusion mechanisms on the finite-size scaling behavior of the tracer surface diffusion coefficient in the close vicinity of a second order phase transition. A given diffusion mechanism emerges from a specific transition algorithm (TA) representing a microscopic model of adatom jumps on the surface. In this work we apply the Monte Carlo method to investigate a lattice gas model of repulsively interacting particles on a square lattice. For all diffusion mechanisms and lattice sizes L studied, the measured tracer surface diffusion coefficient, Dt, is a smooth function of temperature and exhibits an inflexion point at or near the critical temperature. Its derivative, ∂Dt/∂(1/kBT), exhibits cusp-like maxima which are (a) sharply pronounced and (b) converge to Tc(L = ∞) for large lattice sizes. We have analysed the finite-size behavior of Dt and obtained its critical exponent, σt, for each diffusion mechanism considered. The results show that σt is different for the different diffusion mechanism, i.e.σt depends on the choice of the TA.

Related Literature

Theoretical insights into the reactivity of Fe-based catalysts for water oxidation: the role of electron-withdrawing groups

Penglin Xu, Shaojin Hu, Hou-Dao Zhang, Xiao Zheng

2018-04-30 Paper

DOI: 10.1039/C8CP00687C

Vibrational satellites of C2S, C3S, and C4S: microwave spectral taxonomy as a stepping stone to the millimeter-wave band

Marie-Aline Martin-Drumel, Kin Long Kelvin Lee, John F. Stanton, Carl A. Gottlieb

2018-04-11 Paper

DOI: 10.1039/C8CP01102H

Calorimetric study of water's two glass transitions in the presence of LiCl

Thomas Loerting

2018-02-07 Paper

DOI: 10.1039/C7CP08677F

DNA triplex structure, thermodynamics, and destabilisation: insight from molecular simulations

Belinda J. Boehm, Charles Whidborne, Alexander L. Button, Tara L. Pukala, David M. Huang

2018-05-04 Paper

DOI: 10.1039/C8CP02385A

An ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: effects of Mg-doping and surface electronic features

Eduardo Schiavo, Vincenzo Barone, Orlando Crescenzi, Ana B. Muñoz-García, Michele Pavone

2018-04-18 Paper

DOI: 10.1039/C8CP00848E

Ammonolysis of ketene as a potential source of acetamide in the troposphere: a quantum chemical investigation

Saptarshi Sarkar, Subhasish Mallick, Pradeep Kumar, Biman Bandyopadhyay

2018-04-25 Paper

DOI: 10.1039/C8CP01650J

Novel two-dimensional ferromagnetic semiconductors: Ga-based transition-metal trichalcogenide monolayers

Maolin Yu, Xiaofei Liu, Wanlin Guo

2018-01-30 Paper

DOI: 10.1039/C7CP07912E

Small stoichiometric (MoS2)n clusters with the 1T phase

Ya-Ya Wang, Jia-Jun Deng, Xin Wang, Jian-Tao Che, Xun-Lei Ding

2018-01-30 Paper

DOI: 10.1039/C7CP07914A

A potential material for hydrogen storage: a Li decorated graphitic-CN monolayer

Yong-Dao Chen, Song Yu, Wen-Hui Zhao, Shun-Fang Li, Xiang-Mei Duan

2018-04-25 Paper

DOI: 10.1039/C8CP01145A

Reactions of SO2 and NH3 with epoxy groups on the surface of graphite oxide powder

Wenjing Xie, Chak-Keung Chan

2018-02-09 Paper

DOI: 10.1039/C8CP00524A

You might also like

Compound Q&A

What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?

When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...

40716-16-34-Methyl-6-(trifluor...
Compound Q&A

What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?

4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...

405058-00-64-(3,5-Difluoropheny...
Compound Q&A

How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?

5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...

338982-07-35-{[4-(Trifluorometh...
Compound Q&A

What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?

The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...

6317-57-34-Benzylaniline hydr...
Compound Q&A

Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?

[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...

871329-58-7[3-(Diethylsulfamoyl...
Compound Q&A

What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?

3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...

115929-62-93-Bromo-2,5-dimethox...
Compound Q&A

What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?

N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...

915922-67-7N-Methyl-1-(5-methyl...
Compound Q&A

What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?

This compound is primarily used in the pharmaceutical industry for the synthesis...

24828-96-4Carbamic acid, N-[(5...
Compound Q&A

How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?

2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...

1298101-47-92-Methyl-2-propanyl ...
Compound Q&A

What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?

Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...

367-33-9Ethyl 2-bromo-4,4,4-...

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.