Adsorbing a PVDF polymer via noncovalent interactions to effectively tune the electronic and magnetic properties of zigzag SiC nanoribbons
文献情報
Hui Li, Wei Chen, Yuanhui Sun, Xuri Huang, Guangtao Yu
On the basis of first-principle computations, we first propose a simple and effective strategy through surface-adsorbing a poly(vinylidene fluoride) (PVDF) polymer via noncovalent interactions to tune the electronic and magnetic behaviors of zigzag SiC nanoribbons (zSiCNRs). It is revealed that depositing the strong electron-withdrawing PVDF polymer with a permanent dipole moment can induce the evident change of the electrostatic potential in the substrate zSiCNRs, like applying an electric field. As a result, this kind of noncovalent surface-modification by a polymer can break the magnetic degeneracy of zSiCNRs independent of the adsorption type and position, and sole ferromagnetic metallicity and even antiferromagnetic half-metallicity can be achieved. Moreover, all PVDF-modified zSiCNR systems can exhibit considerable adsorption energies in the range of −0.436 to −1.315 eV, indicating that these joint systems possess high structural stabilities. These intriguing findings will be advantageous for promoting excellent SiC-based nanomaterials in the applications of spintronics and multifunctional nanodevices in the near future.
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掲載誌
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.










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