A molecular device providing a remarkable spin filtering effect due to the central molecular stretch caused by lateral zigzag graphene nanoribbon electrodes
Literature Information
Xiaoyue Liu, Jueming Yang, Xingwu Zhai, Hongxia Yan, Yanwen Zhang, Long Zhou
Through the density functional theory, we studied molecular devices composed of single tetrathiafulvalene (TTF) molecules connected with zigzag graphene nanoribbon electrodes by four different junctions. Interestingly, some devices have exhibited half-metallic behavior and can bring out a perfect spin filtering effect and remarkable negative differential resistance behavior. The current–voltage characteristics show that these four devices possess different spin current values. We found that all the TTF molecules were stretched due to interactions with the electrodes in the four devices. This leads to the Fermi levels of the three devices being down-shifted to the valence band; therefore, these devices exhibit half-metallic properties. The underlying mechanisms of the different spin current values are attributed to the different electron transmission pathways (via chemical bonds or through hopping between atoms). These results suggest that the device properties and conductance are controlled by different junctions. Our work predicts an effective way for designing high-performance spin-injected molecular devices.
Related Literature
Steps, hops and turns: examining the effects of channel shapes on mass transfer in continuous electrochemical reactors
Hamish R. Stephen, Sarah Boyall, Christiane Schotten, Richard A. Bourne, Nikil Kapur, Charlotte E. Willans
DOI: 10.1039/D1RE00530H
How controlled and versatile is N-carboxy anhydride (NCA) polymerization at 0 °C? Effect of temperature on homo-, block- and graft (co)polymerization
Gijs J. M. Habraken, Maloes Peeters, Carin H. J. T. Dietz, Cor E. Koning
DOI: 10.1039/B9PY00337A
Impact of structure, doping and defect-engineering in 2D materials on CO2 capture and conversion
E. J. Jelmy, Dhanu Treasa Mathew, Nisha T. Padmanabhan
DOI: 10.1039/D1RE00214G
Drug-grafted seven-arm amphiphilic star poly(ε-caprolactone-co-carbonate)-b-poly(ethylene glycol)s based on a cyclodextrin core: synthesis and self-assembly behavior in water
Peng-Fei Gou, Wei-Pu Zhu, Zhi-Quan Shen
DOI: 10.1039/C0PY00043D
Ultrasonic process intensification during the preparation of dimethyl carbonate based on the alcoholysis of ethylene carbonate and the kinetic behavior of dimethyl carbonate
Yueyue He, Huaigang Cheng, Zihe Pan, Fangqin Cheng
DOI: 10.1039/D1RE00219H
Concentric annular liquid–liquid phase separation for flow chemistry and continuous processing
Bin Feng, Heather O'Connor, Denis Dowling, Geoff Gibson, Kevin P. Girard
DOI: 10.1039/D1RE00119A
Tacticity effects on glass transition and phase behavior in binary blends of poly(methyl methacrylate)s of three different configurations
Ling Chang, E. M. Woo
DOI: 10.1039/B9PY00237E
Large-scale and clean preparation of low-defect few-layered graphene from commercial graphite via hydroxyl radical exfoliation in an acidic medium
Wenqiao Du, Zaiqian Yu, Xin Wang, Jingdong Wu, Long Zhang
DOI: 10.1039/D1RE00289A
You might also like
What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?
When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...
Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?
4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...
How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?
Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...
What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?
5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...
How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?
Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...
What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?
4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...
How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?
Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...
What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?
6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...
Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?
(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...
What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?
7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....
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.












![8-Bromo-6-fluoro[1,2,4]triazolo[1,5-a]pyridin-2-amine structure 8-Bromo-6-fluoro[1,2,4]triazolo[1,5-a]pyridin-2-amine structure](https://static.chemtradehub.com/structs/125/1257705-51-3-9f4a.webp)

