29 citations · 88 across the 10 of their papers we have counts for
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Fast Fisher-Lee approach for conductance calculations on BTB-based molecular junctions: effects of isomerization and electrode coupling
Sylvain Pitié, Mahamadou Seydou, Yannick. J. Dappe +3
In this work, we have implemented the Fisher-Lee formalism to couple non-equilibrium Green functions with tight-binding Density Functional to tackle large molecular systems. This m…
Symmetry aspects of spin-filtering in molecular junctions: hybridization and quantum interference effects
Dongzhe Li, Rajdeep Banerjee, Sourav Mondal +4
Control and manipulation of electric current and, especially, its degree of spin polarization (spin filtering) across single molecules are currently of great interest in the field…
Perfect spin filtering by symmetry in molecular junctions
Dongzhe Li, Yannick J. Dappe, Alexander Smogunov
Obtaining highly spin-polarized currents in molecular junctions is crucial and desirable for nanoscale spintronics devices. Motivated by our recent symmetry-based theoretical argum…
Tuning spin filtering by anchoring groups in benzene derivative molecular junctions
Dongzhe Li, Yannick J. Dappe, Alexander Smogunov
One of the important issues of molecular spintronics is the control and manipulation of charge transport and, in particular, its spin polarization through single-molecule junctions…
Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum
Yannick J. Dappe, José I. Martínez
We investigate the geometry, stability, electronic structure and optical properties of C24H12 coronenes encapsulated in a single-wall (19,0) carbon nanotube. By an adequate combina…