Maurício Jeomar Piotrowski
Title
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Year
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
1942010
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
762014
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
682017
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
602016
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
602012
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
512015
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
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
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
302012
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
272014
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
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
Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55–n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters
KEA Batista, JLF Da Silva, MJ Piotrowski
The Journal of Physical Chemistry C 122 (13), 7444-7454, 2018
112018
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