Maurício Jeomar Piotrowski
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Density functional theory investigation of 3 d, 4 d, and 5 d 13-atom metal clusters
MJ Piotrowski, P Piquini, JLF Da Silva
Physical Review B 81 (15), 155446, 2010
1952010
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
772014
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): a density functional theory …
AS Chaves, MJ Piotrowski, JLF Da Silva
Physical Chemistry Chemical Physics 19 (23), 15484-15502, 2017
712017
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
622016
Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation
MJ Piotrowski, P Piquini, JLF Da Silva
The Journal of Physical Chemistry C 116 (34), 18432-18439, 2012
612012
Reconstruction of core and surface nanoparticles: The example of and
JLF Da Silva, HG Kim, MJ Piotrowski, MJ Prieto, G Tremiliosi-Filho
Physical Review B 82 (20), 205424, 2010
582010
Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
D Guedes-Sobrinho, RK Nomiyama, AS Chaves, MJ Piotrowski, ...
The Journal of Physical Chemistry C 119 (27), 15669-15679, 2015
542015
The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co 13, Rh 13, and Hf 13
MJ Piotrowski, P Piquini, L Candido, JLF Da Silva
Physical Chemistry Chemical Physics 13 (38), 17242-17248, 2011
432011
Hybrid density functional study of small Rh clusters
JLF Da Silva, MJ Piotrowski, F Aguilera-Granja
Physical Review B 86 (12), 125430, 2012
412012
Structural formation of binary PtCu clusters: A density functional theory investigation
AS Chaves, GG Rondina, MJ Piotrowski, JLF Da Silva
Computational Materials Science 98, 278-286, 2015
352015
Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation
MJ Piotrowski, P Piquini, Z Zeng, JLF Da Silva
The Journal of Physical Chemistry C 116 (38), 20540-20549, 2012
312012
Role of van der Waals corrections for the Pt (, S, Se) compounds
MJ Piotrowski, RK Nomiyama, JLF Da Silva
Physical Review B 88 (7), 075421, 2013
302013
Bulk structures of PtO and PtO from density functional calculations
RK Nomiyama, MJ Piotrowski, JLF Da Silva
Physical Review B 84 (10), 100101, 2011
302011
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
282014
Transition-metal 13-atom clusters assessed with solid and surface-biased functionals
MJ Piotrowski, P Piquini, MM Odashima, JLF Da Silva
The Journal of chemical physics 134 (13), 134105, 2011
272011
Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13
AS Chaves, MJ Piotrowski, D Guedes-Sobrinho, JLF Da Silva
The Journal of Physical Chemistry A 119 (47), 11565-11573, 2015
232015
Band alignment and charge transfer predictions of ZnO/ZnX (X= S, Se or Te) interfaces applied to solar cells: a PBE+ U theoretical study
EM Flores, RA Gouvea, MJ Piotrowski, ML Moreira
Physical Chemistry Chemical Physics 20 (7), 4953-4961, 2018
142018
Structural and electronic properties of TM 23-p Ag p (TM= Ni, Pd, and Pt) clusters in the dilute limit (p= 0–4): A density functional theory investigation
F Aguilera-Granja, MJ Piotrowski, JLF da Silva
The European Physical Journal D 67 (2), 1-7, 2013
142013
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
132015
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt
KEA Batista, MJ Piotrowski, AS Chaves, JLF Da Silva
The Journal of chemical physics 144 (5), 054310, 2016
122016
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