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    Effect of molecular structure on spin-dependent electron transport in biferrocene-based molecular junctions: a first-principles study

    The spin-dependent electronic transport properties in the molecular junctions based on ethynyl-connected biferrocene are investigated by density functional theory combined with nonequilibrium Green’s function....

    Shundong Yuan, Shiyan Wang, Yudou Wang, Qidan Ling in Journal of Computational Electronics (2017)