Molecular charge transfer by adsorbing TCNQ/TTF molecules via π–π interaction: a simple and effective strategy to modulate the electronic and magnetic behaviors of zigzag SiC nanoribbons
Literature Information
Dan Liu, Guangtao Yu, Yuanhui Sun, Xuri Huang, Jia Guan, Hui Zhang, Hui Li, Wei Chen
By means of first-principles computations, we first propose a simple and effective strategy through the molecular charge transfer via noncovalent π–π interaction to modulate the electronic and magnetic properties of zigzag SiC nanoribbons (zSiCNRs). This charge transfer is induced by adsorbing the electron-withdrawing/donating tetracyanoquinodimethane (TCNQ) or tetrathiafulvalene (TTF) molecules on the surface of the pristine zSiCNR. It is revealed that all the TCNQ- and TTF-modified zSiCNR-systems can exhibit considerable adsorption energies in the range from −137.2 to −184.0 kJ mol−1 and from −71.3 to −76.9 kJ mol−1, respectively, indicating that these zSiCNR-complexes possess high structure stabilities. This kind of a molecular charge transfer via π–π interaction can break the magnetic degeneracy of zSiCNRs, and the sole ferromagnetic (FM) metallicity and even antiferromagnetic (AFM) half-metallicity can be achieved. These intriguing findings will be advantageous for promoting SiC-based nanomaterials in the application of spintronics and multifunctional nanodevices in the near future.
Related Literature
Facile synthesis of S, N co-doped carbon dots and investigation of their photoluminescence properties
Yue Zhang, Junhui He
DOI: 10.1039/C5CP03498A
Determining adsorbate configuration on alumina surfaces with 13C nuclear magnetic resonance relaxation time analysis
P. A. Vecino, Z. Huang, J. Mitchell, J. McGregor, H. Daly, C. Hardacre, J. M. Thomson, L. F. Gladden
DOI: 10.1039/C5CP02436F
Molecular weight growth in Titan's atmosphere: branching pathways for the reaction of 1-propynyl radical (H3CCC˙) with small alkenes and alkynes
Benjamin B. Kirk, John D. Savee, Adam J. Trevitt, David L. Osborn, Kevin R. Wilson
DOI: 10.1039/C5CP02589C
Sunlight as an energetic driver in the synthesis of molecules necessary for life
Rebecca J. Rapf, Veronica Vaida
DOI: 10.1039/C6CP00980H
Conformational selection underpins recognition of multiple DNA sequences by proteins and consequent functional actions
Gitashri Naiya, Paromita Raha, Manas Kumar Mondal, Uttam Pal, Rajesh Saha, Susobhan Chaudhuri, Subrata Batabyal, Samir Kumar Pal, Dhananjay Bhattacharyya, Nakul C. Maiti, Siddhartha Roy
DOI: 10.1039/C6CP03278H
A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity
Ross H. McKenzie
DOI: 10.1039/C5CP02236C
On the lack of evolutionary continuity between prebiotic peptides and extant enzymes
Luciana Raggi, Jeffrey L. Bada, Antonio Lazcano
DOI: 10.1039/C6CP00793G
Does Hooke's law work in helical nanosprings?
Sudong Ben, Junhua Zhao, Timon Rabczuk
DOI: 10.1039/C5CP02802G
The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding
Rabindranath Lo, Jindřich Fanfrlík, Martin Lepšík
DOI: 10.1039/C5CP03617H
You might also like
What is Ethyl 3-cyclohexylpropanoate (CAS: 10094-36-7)?
Ethyl 3-cyclohexylpropanoate is a clear, colorless to light yellow liquid with a...
How should waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)nicotinic acid (CAS: 34783-31-8) be handled?
Waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl...
How should waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) be handled?
Waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) sho...
What precautions should be taken when handling Chloroac-nle-oh (CAS: 56787-36-1)?
When handling Chloroac-nle-oh (CAS: 56787-36-1), it is essential to wear appropr...
What industries use Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 752244-05-6)?
Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate is primarily used in the...
Are there alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis?
Alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis ...
How should waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) be handled?
Waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) should be managed...
What industries use 1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9)?
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9) is used in various ...
Are there alternatives to 3-Bromo-5-(N-Boc)aminomethylisoxazole (CAS: 903131-45-3) in synthesis?
There are alternative reagents and compounds that can be used in the synthesis o...
What is Tungsten(IV) oxide (CAS: 12036-22-5)?
Tungsten(IV) oxide, also known as tungsten dioxide, is a chemical compound with ...
Source Journal
Physical Chemistry Chemical Physics

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.













![2-Bromodibenzo[b,d]furan structure 2-Bromodibenzo[b,d]furan structure](https://static.chemtradehub.com/structs/86-/86-76-0-1814.webp)
