Discriminative modulation of the highest occupied molecular orbital energies of graphene and carbon nanotubes induced by charging

Literature Information

Publication Date 2015-02-09
DOI 10.1039/C4CP05418K
Impact Factor 3.676
Authors

Hongping Yang, Chi-yung Yam, Aihua Zhang


View Original

Abstract

The highest occupied molecular orbital (HOMO) energies of carbon nanotubes (CNTs) and graphene are crucial in fundamental and applied research of carbon nanomaterials, and so their modulation is desired. Our first-principles calculations reveal that the HOMO energies of CNTs and graphene can both be raised by negatively charging, and that the rate of increase of the HOMO energy of a CNT is much greater and faster than that of graphene with the same number of C atoms. This discriminative modulation holds true regardless of the number of C atoms and the CNT type, and so is universal. This work provides a new opportunity to develop all-carbon devices with CNTs and graphene as different functional elements.

Related Literature

Nanoscopic structures and molecular interactions leading to a dystectic and two eutectic points in [EMIm][Cl]/urea mixtures

Ulrike Cerajewski, Jennica Träger, Selgar Henkel, Andreas H. Roos, Martin Brehm, Dariush Hinderberger

2018-10-01 Paper

DOI: 10.1039/C8CP04912B

From cyclic nanorings to single-walled carbon nanotubes: disclosing the evolution of their electronic structure with the help of theoretical methods

A. Pérez-Guardiola, A. J. Pérez-Jiménez, J. C. Sancho-García

2019-01-08 Paper

DOI: 10.1039/C8CP06615A

Electronic transport in a graphene single layer: application in amino acid sensing

Sindy J. Rodríguez, Eduardo A. Albanesi

2018-12-03 Paper

DOI: 10.1039/C8CP05093G

Controlling ionic conductivity through transprotein electropores in human aquaporin 4: a non-equilibrium molecular-dynamics study

Mario Bernardi, Paolo Marracino, Micaela Liberti, José-Antonio Gárate, Christian J. Burnham, Francesca Apollonio, Niall J. English

2019-01-28 Paper

DOI: 10.1039/C8CP06643D

Back cover

Cover

DOI: 10.1039/C9CP90046B

Insights into the effects produced by doping of medium-sized boron clusters with ruthenium

Bole Chen, Weiguo Sun, Xiaoyu Kuang, Xinxin Xia, Hongxiao Shi, Gennady L. Gutsev

2018-11-15 Paper

DOI: 10.1039/C8CP05725G

Influence of humidity and iron(iii) on photodegradation of atmospheric secondary organic aerosol particles

Kurtis T. Malecha, Markus Ammann, Sergey A. Nizkorodov

2018-11-19 Paper

DOI: 10.1039/C8CP03981J

You might also like

Compound Q&A

How should waste containing 4-Bromo-3-methyl-2-thiophenecarboxylic acid (CAS: 265652-39-9) be handled?

Waste containing 4-Bromo-3-methyl-2-thiophenecarboxylic acid (CAS: 265652-39-9) ...

265652-39-94-Bromo-3-methyl-2-t...
Compound Q&A

What industries use (2S,5S,2'S,5'S)-1,1'-(1,2-Ethanediyl)bis(2,5-dimethylphospholane) (CAS: 136779-26-5)?

(2S,5S,2'S,5'S)-1,1'-(1,2-Ethanediyl)bis(2,5-dimethylphospholane) is primarily u...

136779-26-5(2S,5S,2'S,5'S)-1,1'...
Compound Q&A

What industries use Ethyl 2-(2-bromo-5-fluorophenyl)acetate (CAS: 1214910-61-8)?

Ethyl 2-(2-bromo-5-fluorophenyl)acetate (CAS: 1214910-61-8) is used in the pharm...

1214910-61-8Ethyl 2-(2-bromo-5-f...
Compound Q&A

How is 4-Methyl-2-benzofuran-1,3-dione (CAS: 4792-30-7) typically synthesized?

4-Methyl-2-benzofuran-1,3-dione (CAS: 4792-30-7) can be synthesized through seve...

4792-30-74-Methyl-2-benzofura...
Compound Q&A

What industries use 4,6-Dichloroquinoline-3-carbonitrile (CAS: 936498-04-3)?

4,6-Dichloroquinoline-3-carbonitrile (CAS: 936498-04-3) is used in the pharmaceu...

936498-04-34,6-Dichloroquinolin...
Compound Q&A

What are the main uses of Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I) (CAS: 385815-83-8)?

Chloro[tris(para-trifluoromethylphenyl)phosphine]gold(I) is primarily used in or...

385815-83-8Chloro[tris(para-tri...
Compound Q&A

Is 2-Bromo-5-nitrofuran (CAS: 823-73-4) safe?

2-Bromo-5-nitrofuran (CAS: 823-73-4) is generally considered safe when handled w...

823-73-42-Bromo-5-nitrofuran
Compound Q&A

How should 5-Bromo-2,3,4-trifluorobenzoic acid (CAS: 212631-85-1) be stored?

5-Bromo-2,3,4-trifluorobenzoic acid should be stored in a cool, dry place away f...

212631-85-15-Bromo-2,3,4-triflu...
Compound Q&A

What are the main uses of Zinc bis(aminoacetate) (CAS: 7214-08-6)?

Zinc bis(aminoacetate) (CAS: 7214-08-6) is primarily used in the pharmaceutical ...

7214-08-6Zinc bis(aminoacetat...
Compound Q&A

How should Adamantan-1-ylmethanol (CAS: 770-71-8) be stored?

Adamantan-1-ylmethanol should be stored in a cool, dry, and well-ventilated plac...

770-71-8Adamantan-1-ylmethan...

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 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.