Buchumschlag

Single-molecule electronic materials. Conductance of π-conjugated oligomers within quasi-correlated tight-binding model

For computing electric conductance through organic nanowire of conjugated type we make use of the recently proposed quasi-correlated tight-binding (QCTB) method. The appropriate Green's function (GF) matrices are constructed, and simple numerical algorithms are given for them. Moreover, the GF...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Functional Materials
Datum:	2019
1. Verfasser:	Luzanov, A.V.
Format:	Artikel
Sprache:	Englisch
Veröffentlicht:	НТК «Інститут монокристалів» НАН України 2019
Schlagworte:	Modeling and simulation
Online Zugang:	https://nasplib.isofts.kiev.ua/handle/123456789/157411
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!
Назва журналу:	Digital Library of Periodicals of National Academy of Sciences of Ukraine
Zitieren:	Single-molecule electronic materials. Conductance of π-conjugated oligomers within quasi-correlated tight-binding model / A.V. Luzanov // Functional Materials. — 2019. — Т. 26, № 1. — С. 152-163. — Бібліогр.: 45 назв. — англ.

Institution

Digital Library of Periodicals of National Academy of Sciences of Ukraine

Ähnliche Einträge

Effectively unpaired electrons in bipartite lattices within the generalized tight-binding approximation: application to graphene nanoflakes
von: Luzanov, A.V.
Veröffentlicht: (2014)

Tight-binding description of TiCx
von: Ivashchenko, V.I., et al.
Veröffentlicht: (2004)

Excited state structural analysis (ESSA) for correlated states of spin-flip type: application to electronic excitations in nanodiamonds with defects
von: Luzanov, A.V., et al.
Veröffentlicht: (2016)

Some aspects of tight-binding approach in chemisorption theory
von: Rudavskii, Yu., et al.
Veröffentlicht: (2001)

Simplified computations of spin excitations in high-spin carbon nanoclusters and related systems
von: Luzanov, A.V.
Veröffentlicht: (2015)

Kirchhoff and electron curvature indexes for SiC nanoclusters
von: Luzanov, A.V.
Veröffentlicht: (2017)

Positive chirality measures from chiroptical pseudoscalars: applications to carbon-containing molecular systems
von: Luzanov, A.V.
Veröffentlicht: (2015)

Modified participation ratio approach: application to edge-localized states in carbon nanoclusters
von: Luzanov, A.V.
Veröffentlicht: (2016)

About theoretical peculiarities of lowest excitations in modified nanodiamond color centers
von: Luzanov, A.V.
Veröffentlicht: (2017)

Tight-binding study of nonmagnetic-defect-induced magnetism in graphene
von: Kumazaki, H., et al.
Veröffentlicht: (2008)

To the theory of force constants for multiatomic systems in the tight-binding model (part II)
von: I. O. Marushko
Veröffentlicht: (2014)

To the theory of force constants for multiatomic systems in the tight-binding model (part II)
von: I. O. Marushko
Veröffentlicht: (2014)

Optical properties of π-conjugated donor-acceptor systems with controlled hyperpolarizability
von: Piryatinski, Yu.P., et al.
Veröffentlicht: (2008)

Radiative conduction problem in the thin layer of semi-transparent medium. The weak absorption case
von: Kolesnikov, A.V., et al.
Veröffentlicht: (2007)

Control of radiation-conductive heat exchange at crystal growth from melt
von: Deshko, V.I., et al.
Veröffentlicht: (2008)

Degeneracy effect of dynamical properties of quasi-particles of electronic origin in semiconductor materials
von: Suprun, A.D., et al.
Veröffentlicht: (2012)

Energy spectrum and thermodynamics of quasi-one-dimensional ferrimagnets on the basis of transition metal compounds
von: Cheranovskii, V.O., et al.
Veröffentlicht: (2008)

ITSN1 binds the E2-conjugating enzyme UBC9
von: K. O. Kozyrieva, et al.
Veröffentlicht: (2024)

Chemical potential of gaseous medium for corundum single crystals growth
von: Kryvonosov, Ie., et al.
Veröffentlicht: (2018)

Surface magnetism of non-ideal iron borate single crystal
von: Maksimova, E.M., et al.
Veröffentlicht: (2008)

Peculiarities of band gap width dependence upon concentration of the admixture strips randomly included in quasi-two-dimensional photonic crystal
von: Rumyantsev, V.V., et al.
Veröffentlicht: (2010)

The influence of single barrier semimagnetic semiconductor spin filter on electrons spin polarization
von: Vertsimakha, G.V., et al.
Veröffentlicht: (2010)

Dependence of minority charge carriers lifetime on point defects type and their concentration in single-crystal silicon
von: Zaitsev, R.V., et al.
Veröffentlicht: (2011)

A semiempirical description of functionalized nanodiamonds with NV- color centers
von: Luzanov, A.V., et al.
Veröffentlicht: (2016)

Basis set effects on the structure of isomeric nitroanilines: the role of basis set expansion, additional diffuse and polarization functions within the frame of DFT and MP2 approaches
von: Omelchenko, I.V., et al.
Veröffentlicht: (2017)

Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes
von: Zhikol, O.A., et al.
Veröffentlicht: (2018)

Excited state structural analysis for correlated many-electron systems
von: Luzanov, A.V.
Veröffentlicht: (2014)

The ion-conducting composites based on the aliphatic and aromatic epoxy oligomers and the lithium perchlorate salt
von: L. K. Matkovska, et al.
Veröffentlicht: (2017)

In silico binding affinity studies of phenyl-substituted 1,3-oxazoles with protein molecules
von: Yu. Zhuravlova, et al.
Veröffentlicht: (2020)

Influence of nonlinear dissipation and external perturbations on transition scenarios to the chaos in the Lorenz-Haken system
von: Dvornichenko, A.V.
Veröffentlicht: (2013)

Single-molecule probing of incommensurate biphenyl
von: Pärs, M., et al.
Veröffentlicht: (2010)

On derived π-length of a finite π-solvable group with supersolvable π-Hall subgroup
von: Monakhov, V.S., et al.
Veröffentlicht: (2013)

On derived π-length of a finite π-solvable group with supersolvable π-Hall subgroup
von: V. S. Monakhov, et al.
Veröffentlicht: (2013)

On π-Solvable and Locally π-Solvable Groups with Factorization
von: Putilov, S. V., et al.
Veröffentlicht: (2001)

Tightness testing of aviation systems (Review)
von: M. L. Kazakevych, et al.
Veröffentlicht: (2022)

On gas and hydraulic tightness of accelerating sections
von: Zhiglo, V.F.
Veröffentlicht: (2021)

Hydrodynamical conditions in the melt at the growth of sapphire and YAG crystals by horizontal directed crystallization
von: Nizhankovskyi, S.V., et al.
Veröffentlicht: (2015)

Fluctuations of ionizing particle track structure and energy resolution of scintillators
von: Gektin, A.V., et al.
Veröffentlicht: (2017)

Properties of the volume phase in the layerwise growth
von: Brodskii, R., et al.
Veröffentlicht: (2014)

Methods of constructing basis in solving inverse problems
von: Mozgovoy, A.V., et al.
Veröffentlicht: (2014)