Electronic and magnetic structures of coronene-based graphitic nanoribbons
Literature Information
Aldilene Saraiva-Souza, Zachary Bullard, Dayvison Weber Maia, Antônio Gomes Souza Filho, Eduardo Costa Girão
We study the electronic properties of a series of coronene-derived graphitic nanoribbons recently synthesized in a pre-programmed, nanotube assisted, chemical route [Talyzin et al. Nano Lett., 2011, 11, 4352 and Fujihara et al. J. Phys. Chem. C, 2012, 116, 15141]. We employ a combination of density functional theory and spin-polarized tight-binding methods to show how details of the molecular building blocks and their assembly uniquely determine the electronic structure of the resulting ribbon. We demonstrate the onset of multiple magnetic states for these systems and a non-trivial dependence of the electronic bandgap with both atomic structure and spin configuration, which make these coronene-based ribbons potential candidates for applications in nanoelectronics.
Recommended Journals

Helvetica Chimica Acta

Israel Journal of Chemistry

Journal of Medicinal Chemistry

Pharmacological Reviews

Pure and Applied Chemistry

European Journal of Wood and Wood Products

Kinetics and Catalysis

Molecular Pharmacology

Planta Medica

Proceedings of the National Academy of Sciences of the United States of America
Related Literature
Dirhodium(ii)/P(t-Bu)3 catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids
Ziling Ma, Yuanhua Wang
DOI: 10.1039/C8OB01997E
Iron-catalysed carbene-transfer reactions of diazo acetonitrile
Claire Empel, Katharina J. Hock, Rene M. Koenigs
DOI: 10.1039/C8OB01991F
Synthesis of difluoromethylated enynes by the reaction of α-(trifluoromethyl)styrenes with terminal alkynes
Mingsheng Wu, Xianghu Zhao, Yisen Liu, Song Cao
DOI: 10.1039/C8OB02117A
Asymmetric fluorination of indanone-2-carboxylates using a polystyrene-supported diphenylamine-linked bis(oxazoline) complex
Biao Wang, Yifeng Wang, Yidong Jiang, Mingming Chu, Suosuo Qi, Wanzhen Ju, Danqian Xu
DOI: 10.1039/C8OB01943F
Rhodium-catalyzed coupling-cyclization reaction of isocyanides and 2-azidophenyloxyacrylates: synthesis of N-(3-substituted benzo[d]oxazol-2(3H)-ylidene)amines and dihydrobenzo[d]oxazoles
Ming Yang, Xue-Cen Xu, Yue Gong, Yu-Long Zhao
DOI: 10.1039/D1QO01506K
Catalytic asymmetric Henry reactions of silyl nitronates with aldehydes
Tine Risgaard, Kurt V. Gothelf, Karl Anker Jørgensen
DOI: 10.1039/B208859M
Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar–π effects
Franco Cozzi, Rita Annunziata, Maurizio Benaglia, Mauro Cinquini, Laura Raimondi, Kim K. Baldridge, Jay S. Siegel
DOI: 10.1039/B208871A
A rapid cell-permeating turn-on probe for sensitive and selective detection of sulfite in living cells
Jing Xu, Da-Jun Zheng, Mi-Mi Su, Yan-Chi Chen, Qing-Cai Jiao
DOI: 10.1039/C8OB01908H
Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1′-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes
Huanyu Shan, Rihuang Pan, Xufeng Lin
DOI: 10.1039/C8OB01785A
You might also like
What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?
N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...
What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?
When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...
What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?
Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...
What is the market or research trend for oxocopper (CAS: 12053-18-8)?
The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...
What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?
The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...
What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?
2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...
What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...
How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?
(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...
What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?
3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...
How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?
Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...
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.
![1-oxaspiro[4.4]nonan-6-one structure 1-oxaspiro[4.4]nonan-6-one structure](https://static.chemtradehub.com/structs/134/134179-01-4-e051.webp)
![1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure 1-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one structure](https://static.chemtradehub.com/structs/603/60373-71-9-7dfb.webp)


