Spectrum of electrons in graphene as an alternant macromolecule and its specific features in quantum conductance

A Onipko - Physical Review B—Condensed Matter and Materials …, 2008 - APS
An exact description of π electrons based on the tight-binding model of graphene as an
alternant, plane macromolecule is presented. The model molecule can contain an arbitrary …

Spectrum of Electrons in Graphene as a Macromolecule

L Malysheva, A Onipko - Physical review letters, 2008 - APS
We report the exact solution of the spectral problem for a graphene sheet framed by two
armchair-and two zigzag-shaped boundaries. The solution is found for the π electron …

Electron spectrum of graphene macromolecule revisited

A Onipko, L Malysheva - physica status solidi (b), 2018 - Wiley Online Library
We revisit the model of graphene as a π‐conjugated macromolecule (GMM)[Phys. Rev. Lett.
2008, 100, 186806], and show that it allows us to understand the origin and describe, in …

Comparison of the π-conjugated ring orientations in polyaniline and polypyrrole

J Choi, M Chipara, B Xu, CS Yang, B Doudin… - Chemical physics …, 2001 - Elsevier
While both polyaniline and polypyrrole are similar conducting polymers, from angle-resolved
photoemission, they exhibit key structural differences. A temperature dependent change in …

Tunneling across molecular wires: an analytical exactly solvable model

A Onipko, Y Klymenko, L Malysheva… - Solid state …, 1998 - Elsevier
On the basis of the Landauer approach and Green function technique we have developed
an exactly solvable analytical model that gives a quick and reliable estimate of (ohmic) …

Nonadiabatic electron transfer: Exact analytical expression of through-conjugated-bridge effective coupling and its asymptotics and zeros

A Onipko, Y Klymenko - The Journal of Physical Chemistry A, 1998 - ACS Publications
For the conjugated oligomers of the type (M) N described by a tight-binding Hamiltonian with
the nearest-neighbor interaction between monomers M of otherwise arbitrary electronic …

Electronic structure of conjugated oligomers that are building blocks for achiral and chiral graphene nanoribbons

L Malysheva - Chemical Physics Letters, 2024 - Elsevier
The understanding of graphene π-electronic structure is further advanced by presenting the
exact solution of the tight-binding eigenvalue problem for conjugated oligomers …

An extension of the McConnell superexchange formula to the case of real conjugated oligomers

A Onipko - Chemical physics letters, 1998 - Elsevier
The McConnell formula of superexchange that describes the long-range, non-adiabatic
bridge-mediated electron transfer (ET) is generalized to the case of conjugated bridges …

Lattice Green's function approach to the solution of the spectrum of an array of quantum dots and its linear conductance

NMR Peres, T Stauber, JMB Lopes dos Santos - Physical Review B …, 2009 - APS
In this paper we derive general relations for the band structure of an array of quantum dots
and compute its transport properties when connected to two perfect leads. The exact lattice …

The magnetic-field influence on the inelastic electron tunnel current mediated by a molecular wire

EG Petrov, IS Tolokh, V May - The Journal of chemical physics, 1998 - pubs.aip.org
The magnetic-field influence on the inelastic interelectrode tunnel current mediated by a
molecular wire is studied theoretically for the case in which the wire includes paramagnetic …