Nektarios N Lathiotakis
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Explore the profile of Nektarios N Lathiotakis including associated specialties, affiliations and a list of published articles.
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22
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40
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Recent Articles
1.
Kolokytha C, Lathiotakis N, Kaltzoglou A, Petsalakis I, Tzeli D
Materials (Basel)
. 2025 Feb;
18(3).
PMID: 39942391
In the present work, nine 'defect' perovskites with the chemical formula AZrX have been studied, where the A-site cations are a methylammonium cation, formamidinium cation, and trimethyl-sulfonium cation and the...
2.
Kolokytha C, Sinani A, Manouras T, Angelakos E, Argitis P, Lathiotakis N, et al.
J Phys Chem A
. 2025 Jan;
129(5):1219-1232.
PMID: 39875178
The photophysical properties of five dyes, i.e., perylene, anthracene, aminoanthracene, 1,6-diphenylhexatriene, and 7-diethylamino-4-methylcoumarin, in solvent and attached to the poly(methyl methacrylate) (PMMA) polymer, were studied via DFT and TD-DFT calculations....
3.
Pitts T, Bousiadi S, Gidopoulos N, Lathiotakis N
J Chem Phys
. 2023 May;
158(18).
PMID: 37154280
A way to improve the accuracy of the spectral properties in density functional theory (DFT) is to impose constraints on the effective, Kohn-Sham (KS), local potential [J. Chem. Phys. 136,...
4.
Fthenakis Z, Petsalakis I, Tozzini V, Lathiotakis N
Front Chem
. 2022 Sep;
10:951261.
PMID: 36105305
We study the performance of eleven reactive force fields (ReaxFF), which can be used to study sp carbon systems. Among them a new hybrid ReaxFF is proposed combining two others...
5.
Bousiadi S, Gidopoulos N, Lathiotakis N
Phys Chem Chem Phys
. 2022 Aug;
24(32):19279-19286.
PMID: 35924798
A density inversion method is presented, to obtain the constrained, optimal, local potential that has a prescribed asymptotic behaviour and reproduces optimally any given ground-state electronic density. This work builds...
6.
Kalosakas G, Lathiotakis N, Papagelis K
Materials (Basel)
. 2022 Jan;
15(1).
PMID: 35009214
The potential use of graphene in various strain engineering applications requires an accurate characterization of its properties when the material is under different mechanical loads. In this work, we present...
7.
Pitts T, Lathiotakis N, Gidopoulos N
J Chem Phys
. 2021 Dec;
155(22):224105.
PMID: 34911317
We propose a new generalized Kohn-Sham or constrained hybrid method, where the exchange potential is the (equally weighted) average of the nonlocal Fock-exchange term and the self-interaction-corrected exchange potential, as...
8.
Kalosakas G, Lathiotakis N, Papagelis K
Materials (Basel)
. 2021 Sep;
14(17).
PMID: 34501132
The mechanical response of graphene nanoribbons under uniaxial tension, as well as its dependence on the nanoribbon width, is presented by means of numerical simulations. Both armchair and zigzag edged...
9.
Filippatos P, Soultati A, Kelaidis N, Petaroudis C, Alivisatou A, Drivas C, et al.
Sci Rep
. 2021 Mar;
11(1):5700.
PMID: 33707517
Titanium dioxide (TiO) has a strong photocatalytic activity in the ultra-violet part of the spectrum combined with excellent chemical stability and abundance. However, its photocatalytic efficiency is prohibited by limited...
10.
Callow T, Pearce B, Pitts T, Lathiotakis N, Hodgson M, Gidopoulos N
Faraday Discuss
. 2020 Sep;
224(0):126-144.
PMID: 32940317
We review and expand on our work to impose constraints on the effective Kohn-Sham (KS) potential of local and semi-local density-functional approximations. Constraining the minimisation of the approximate total energy...