Magnetic properties of all-carbon graphene-fullerene nanobuds
文献情報
The magnetic properties of proposed all-carbon graphene-fullerene nanobuds have been investigated through spin-polarized density functional theory. Four structures (A, B, C and D) are proposed in terms of the geometry, and analysis of the formation of new chemical bonds in the nanobuds is conducted. Cases A and B possess magnetic moments of nearly 6 μB, originating from unpaired spins due to the chemical bond formation from two next-nearest atoms in graphene. In Cases C and D, the connections of two atoms in different sublattices of graphene cannot generate unpaired spins, resulting in non-magnetic states. The magnetic nanobuds hold great promise for new spintronics and guide the controllable experimental synthesis of desired geometries.
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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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