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Polina Tereshchuk
Polina Tereshchuk
Researcher, Faculty of Engineering, Tel-Aviv University
E-mail confirmado em mail.tau.ac.il
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Ethanol and water adsorption on close-packed 3d, 4d, and 5d transition-metal surfaces: A density functional theory investigation with van der Waals correction
P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry C 116 (46), 24695-24705, 2012
1382012
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation
AS Chaves, GG Rondina, MJ Piotrowski, P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry A 118 (45), 10813-10821, 2014
1222014
Theoretical study of the structural, energetic, and electronic properties of 55-atom metal nanoclusters: a DFT investigation within van der Waals corrections, spin–orbit …
MJ Piotrowski, CG Ungureanu, P Tereshchuk, KEA Batista, AS Chaves, ...
The Journal of Physical Chemistry C 120 (50), 28844-28856, 2016
992016
Comparative study of van der Waals corrections to the bulk properties of graphite
CRC Rêgo, LN Oliveira, P Tereshchuk, JLF Da Silva
Journal of Physics: Condensed Matter 27 (41), 415502, 2015
762015
Establishing a link between well-ordered Pt (100) surfaces and real systems: how do random superficial defects influence the electro-oxidation of glycerol?
PS Fernández, J Fernandes Gomes, CA Angelucci, P Tereshchuk, ...
ACS Catalysis 5 (7), 4227-4236, 2015
622015
Graphene-supported small transition-metal clusters: A density functional theory investigation within van der Waals corrections
CRC Rêgo, P Tereshchuk, LN Oliveira, JLF Da Silva
Physical Review B 95 (23), 235422, 2017
572017
Ethanol and water adsorption on transition-metal 13-atom clusters: A density functional theory investigation within van der Waals corrections
L Zibordi-Besse, P Tereshchuk, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry A 120 (24), 4231-4240, 2016
552016
Glycerol adsorption on platinum surfaces: a density functional theory investigation with van der Waals corrections
P Tereshchuk, AS Chaves, JLF Da Silva
The Journal of Physical Chemistry C 118 (28), 15251-15259, 2014
502014
How do random superficial defects influence the electro-oxidation of glycerol on Pt (111) surfaces?
PS Fernández, P Tereshchuk, CA Angelucci, JF Gomes, AC Garcia, ...
Physical Chemistry Chemical Physics 18 (36), 25582-25591, 2016
462016
The role of charge transfer in the oxidation state change of Ce atoms in the TM 13–CeO 2 (111) systems (TM= Pd, Ag, Pt, Au): a DFT+ U investigation
P Tereshchuk, RLH Freire, CG Ungureanu, Y Seminovski, A Kiejna, ...
Physical Chemistry Chemical Physics 17 (20), 13520-13530, 2015
452015
Theoretical Investigation of Small Transition-Metal Clusters Supported on the CeO2(111) Surface
MJ Piotrowski, P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry C 118 (37), 21438-21446, 2014
442014
Encapsulation of small magnetic clusters in fullerene cages: a density functional theory investigation within van der Waals corrections
P Tereshchuk, JLF Da Silva
Physical Review B 85 (19), 195461, 2012
372012
Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon
ZM Khakimov, PL Tereshchuk, NT Sulaymanov, FT Umarova, MT Swihart
Physical Review B 72 (11), 115335, 2005
362005
Density functional investigation of the adsorption of ethanol–water mixture on the Pt (111) surface
P Tereshchuk, JLF Da Silva
The Journal of Physical Chemistry C 117 (33), 16942-16952, 2013
352013
The role of the CO adsorption on Pt monolayers supported on flat and stepped Au surfaces: a density functional investigation
P Tereshchuk, RLH Freire, JLF Da Silva
RSC Advances 4 (18), 9247-9254, 2014
202014
Atomic structure of the La/Pt (111) and Ce/Pt (111) surfaces revealed by DFT+ U calculations
P Tereshchuk, MJ Piotrowski, JLF Da Silva
RSC Advances 5 (1), 521-528, 2015
172015
The Role of Low-Coordinated Sites on the Adsorption of Glycerol on Defected Ptn/Pt(111) Substrates: A Density Functional Investigation within the D3 van der …
RC Amaral, P Tereshchuk, Y Seminovski, JLF Da Silva
The Journal of Physical Chemistry C 121 (6), 3445-3454, 2017
162017
Energetically competitive growth patterns of silicon clusters: Quasi-one-dimensional clusters versus diamond-like clusters
PL Tereshchuk, ZM Khakimov, FT Umarova, MT Swihart
Physical Review B 76 (12), 125418, 2007
162007
The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt (111) and Pt4/CeO2 (111) substrates: A density functional theory investigation
Y Seminovski, P Tereshchuk, A Kiejna, JLF Da Silva
The Journal of Chemical Physics 145 (12), 2016
152016
Energetic and magnetic properties of chitosan with embedded Co clusters
PL Tereshchuk
Computational Materials Science 50 (3), 991-997, 2011
152011
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