Výsledky vyhledávání - "Lambropoulos, K."

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Periodic polymers with increasing repetition unit: Energy structure and carrier transfer

Autor: Lambropoulos, K., Vantaraki, C., Bilia, P., Mantela, M., Simserides, C.

Publikováno v: Phys. Rev. E 98, 032412 (2018)

We study the energy structure and the transfer of an extra electron or hole along periodic polymers made of $N$ monomers, with a repetition unit made of $P$ monomers, using a Tight-Binding wire model, where a site is a monomer (e.g., in DNA, a base p

Externí odkaz: http://arxiv.org/abs/1808.05614

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Energy structure, density of states and transmission properties of the periodic 1D Tight-Binding lattice with a generic unit cell of $u$ sites

Autor: Lambropoulos, K., Simserides, C.

We report on the electronic structure, density of states and transmission properties of the periodic one-dimensional Tight-Binding (TB) lattice with a single orbital per site and nearest-neighbor interactions, with a generic unit cell of $u$ sites. T

Externí odkaz: http://arxiv.org/abs/1706.03250

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RT-TDDFT study of hole oscillations in B-DNA monomers and dimers

Autor: Tassi, M., Morphis, A., Lambropoulos, K., Simserides, C.

Publikováno v: Cogent Physics (2017) 4 (1), 1361077

We employ Real-Time Time-Dependent Density Functional Theory to study hole oscillations within a B-DNA monomer (one base pair) or dimer (two base pairs). Placing the hole initially at any of the bases which make up a base pair, results in THz oscilla

Externí odkaz: http://arxiv.org/abs/1704.07413

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Wire and extended ladder model predict THz oscillations in DNA monomers, dimers and trimers

Autor: Lambropoulos, K., Kaklamanis, K., Morphis, A., Tassi, M., Lopp, R., Georgiadis, G., Theodorakou, M., Chatzieleftheriou, M., Simserides, C.

Publikováno v: Journal of Physics: Condensed Matter 28 (2016) 495101

We call \textit{monomer} a B-DNA base pair and study, analytically and numerically, electron or hole oscillations in \textit{monomers}, \textit{dimers} and \textit{trimers}. We employ two Tight Binding (TB) approaches: (I) at the base-pair level, usi

Externí odkaz: http://arxiv.org/abs/1609.00180

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Electronic structure and carrier transfer in B-DNA monomer polymers and dimer polymers: Stationary and time-dependent aspects of wire model vs. extended ladder model

Autor: Lambropoulos, K., Chatzieleftheriou, M., Morphis, A., Kaklamanis, K., Lopp, R., Theodorakou, M., Tassi, M., Simserides, C.

Publikováno v: Phys. Rev. E 94, 062403 (2016)

We employ two Tight-Binding (TB) approaches to study the electronic structure and hole or electron transfer in B-DNA monomer polymers and dimer polymers made up of $N$ monomers (base pairs): (I) at the base-pair level, using the on-site energies of b

Externí odkaz: http://arxiv.org/abs/1609.00235

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Cyclo[18]carbon including zero-point motion: ground state, first singlet and triplet excitations, and hole transfer

Autor: Lambropoulos, K. Alvertis, A.M. Morphis, A. Simserides, C.

Recent synthesis of cyclo[18]carbon has spurred increasing interest in carbon rings. We focus on a comparative inspection of ground and excited states, as well as of hole transfer properties of cumulenic and polyynic cyclo[18]carbon via Density Funct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______2127::a3ab80993b291e0eca8b64b475bab977
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3220570

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Hole transfer in open carbynes

Autor: Simserides, C. Morphis, A. Lambropoulos, K.

We investigate hole transfer in open carbynes, i.e., carbon atomic nanowires, using Real-Time Time-Dependent Density Functional Theory (RT-TDDFT). The nanowire is made of N carbon atoms. We use the functional B3LYP and the basis sets 3-21G, 6-31G*, c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______2127::b3d3c03a3f29f5c223d83e2db1e8d60c
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3059125

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