88 research outputs found

    Mechanism of magnetism in stacked nanographite: Theoretical study

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    Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We theoretically investigate stacking effects in the zigzag nanographite sheets by using a tight binding model with the Hubbard-like onsite interactions. We find a remarkable difference in the magnetic properties between the simple A-A and A-B type stackings. For the simple stacking, there are not magnetic solutions. For the A-B stacking, we find antiferromagnetic solutions for strong onsite repulsions. The local magnetic moments tend to exist at the edge sites in each layer due to the large amplitude of wavefunctions at these sites. Relations with experiments are discussed.Comment: PACS numbers: 75.30.-m, 75.70.Cn, 75.10.Lp, 75.40.Mg; E-mail: [email protected]; http://www.etl.go.jp/~harigaya/welcome_E.htm

    Magnetic Structure of Nano-Graphite Moebius Ribbon

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    We consider the electronic and magnetic properties of nanographite ribbon with zigzag edges under the periodic or Moebius boundary conditions. The zigzag nano-graphite ribbons possess edge localized states at the Fermi level which cause a ferrimagnetic spin polarization localized at the edge sites even in the very weak Coulomb interaction. The imposition of the Moebius boundary condition makes the system non-AB-bipartite lattice, and depress the spin polarization, resulting in the formation of a magnetic domain wall. The width of the magnetic domain depends on the Coulomb interaction and narrows with increasing U/t.Comment: 4 pages; 6 figures; published at J. Phys. Soc. Jpn. Vol. 72 No. 5 pp. 998-1001 (2003

    An improved competitive inhibition enzymatic immunoassay method for tetrodotoxin quantification

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    Quantifying tetrodotoxin (TTX) has been a challenge in both ecological and medical research due to the cost, time and training required of most quantification techniques. Here we present a modified Competitive Inhibition Enzymatic Immunoassay for the quantification of TTX, and to aid researchers in the optimization of this technique for widespread use with a high degree of accuracy and repeatability

    Exciton/Charge-transfer Electronic Couplings in Organic Semiconductors

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    Charge transfer (CT) states and excitons are important in energy conversion processes that occur in organic light emitting devices (OLEDS) and organic solar cells. An ab initio density functional theory (DFT) method for obtaining CT−exciton electronic couplings between CT states and excitons is presented. This method is applied to two organic heterodimers to obtain their CT−exciton coupling and adiabatic energy surfaces near their CT−exciton diabatic surface crossings. The results show that the new method provides a new window into the role of CT states in exciton−exciton transitions within organic semiconductors.United States. Dept. of Energy (DEFG02- 07ER46474)David & Lucile Packard Foundation (Fellowship

    Protein dynamics and electron transfer: Electronic decoherence and non-Condon effects

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