Disintegration of graphene nanoribbons in large electrostatic fields

Literature Information

Publication Date 2014-06-19
DOI 10.1039/C4CP01545B
Impact Factor 3.676
Authors

Haiming Huang, Zhibing Li, H. J. Kreuzer, Weiliang Wang


View Original

Abstract

The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its stability range. Zigzag edges terminated by various functional groups are considered. By analyzing the phonon spectrum, the critical fracture field for each edge structure is obtained. It is found that different terminal groups on the zigzag graphene nanoribbons lead to different fracture patterns at different fracture fields. The failure mechanism is demonstrated to involve both the carbon bond alternation feature across the ribbon and the terminal group electronegativity.

Related Literature

Unraveling the effect of particle size of active metals in Ni/MgO on methane activation and carbon growth mechanism

Shengzhuo Chen, Juntian Niu, Xianrong Zheng, Haiyu Liu, Yan Jin, Jingyu Ran

2023-12-15 Paper

DOI: 10.1039/D3CP05435G

Predicting the pair correlation functions of silicate and borosilicate glasses using machine learning

Kumar Ayush, Pooja Sahu, Sk. Musharaf Ali, Tarak K. Patra

2023-12-04 Paper

DOI: 10.1039/D3CP05136F

Switchable asymmetric transmission with broadband polarization conversion in vanadium dioxide-assisted terahertz metamaterials

Zhichao Liu, Tianle Zhou, Gui Jin, Jiangbin Su, Bin Tang

2023-12-04 Paper

DOI: 10.1039/D3CP05095E

From brew to clean fuel: harnessing distillery wastewater for electrolysis H2 generation using nano scale nickle selenide water oxidation catalysts

Michael Walsh, Jeannie Z. Y. Tan, Sanjay Nagarajan, Kenneth Macgregor, John M. Andresen, M. Mercedes Maroto-Valer, Sudhagar Pitchaimuthu

2023-11-24 Communication

DOI: 10.1039/D3SE01445B

Sufficient driving force for quinoidal isoindigo-based diradicaloids with tunable diradical characters

Li Shen, Xiaobo Gao, Zhanqing Chang, Changhao Zhang, Yue Li, Jitao Lu, Qingguo Meng, Qian Wu

2023-12-13 Paper

DOI: 10.1039/D3CP05199D

Back cover

2024-01-30 Cover

DOI: 10.1039/D4SE90012J

Front cover

2024-01-30 Cover

DOI: 10.1039/D4SE90009J

Novel porous Al-based composites for improved Al–water reaction performances by spark plasma sintering

Jinfan Wu, Tao Wang, Fen Xu, Lixian Sun, Yuan Gao, Hehui Wang, Guorong Zhang, Zhong Cao, Julan Zeng

2024-01-03 Paper

DOI: 10.1039/D3SE01162C

Inside front cover

2024-01-30 Cover

DOI: 10.1039/D4SE90010C

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

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.