Tensile strain induced half-metallicity in graphene-like carbon nitride

Literature Information

Publication Date 2015-01-26
DOI 10.1039/C4CP05560H
Impact Factor 3.676
Authors

Haiquan Hu, Chunjiang Bao, Juan Hua, Hongcai Zhou, Xiaobiao Liu, Xiangdong Liu, Mingwen Zhao


View Original

Abstract

Polymeric graphitic carbon nitride materials exhibit exotic properties superior to graphene which are promising for applications in energy conversion, environment protection, and spintronics devices. We propose a two-dimensional (2D) framework of graphene-like carbon nitride composing of C9N7 units connected by nitrogen atoms. From first-principles, we demonstrate that this 2D carbon nitride has a spin-polarized ground state and exhibits metallic electronic properties, in contrast to commonly studied graphitic carbon nitrides which are nonmagnetic semiconductors. Additionally, half-metallicity can be achieved in this framework by applying tensile strain. The realization will be beneficial for spintronics as a candidate material for a spin-current generator. More importantly, this provides a feasible way to realize half-metallicity in experiments.

Related Literature

Theoretical investigation of germane and germylenedecomposition kinetics

Daniela Polino, Alessandro Barbato, Carlo Cavallotti

2010-07-07 Paper

DOI: 10.1039/C002221G

Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and ε-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach

L. Marleny Rodriguez Albelo, A. Rabdel Ruiz-Salvador, Dewi W. Lewis, Ariel Gómez, Pierre Mialane, Jérome Marrot, Anne Dolbecq, Alvaro Sampieri, Caroline Mellot-Draznieks

2010-06-30 Paper

DOI: 10.1039/C004234J

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes

M. Torrent-Sucarrat, J. M. Anglada, J. M. Luis

2009-06-10 Paper

DOI: 10.1039/B904736K

Hydrothermal synthesis of new wolframite type trimetallic materials and their use in oxidative dehydrogenation of propane

Maurin Salamanca, Yordy E. Licea, Adriana Echavarría, Arnaldo C. Faro Jr., Luz A. Palacio

2009-08-25 Paper

DOI: 10.1039/B907679D

Contents

Front/Back Matter

DOI: 10.1039/B920363J

A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes

Grant D. Smith, Oleg Borodin, Salvy P. Russo, Robert J. Rees, Anthony F. Hollenkamp

2009-08-27 Paper

DOI: 10.1039/B912820D

Back matter

Front/Back Matter

DOI: 10.1039/B919883K

The atomic level structure of the TiO2–NiTi interface

M. Nolan, S. A. M. Tofail

2010-06-15 Paper

DOI: 10.1039/C002562C

The state of absorbed hydrogen in the structure of reduced copper chromite from the vibration spectra

Galina N. Kustova, Hervé Jobic, Tamara M. Yurieva, Georgii A. Filonenko, Lyudmila M. Plyasova

2009-05-13 Paper

DOI: 10.1039/B821381J

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.