Spremljaj
Maurício Jeomar Piotrowski
Naslov
Navedeno
Navedeno
Leto
Density functional theory investigation of , , and 13-atom metal clusters
MJ Piotrowski, P Piquini, JLF Da Silva
Physical Review B—Condensed Matter and Materials Physics 81 (15), 155446, 2010
2732010
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
2132017
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
1342014
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
1082016
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
952015
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
892012
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—Condensed Matter and Materials Physics 82 (20), 205424, 2010
742010
Structural and Electronic Properties of Bulk ZnX (X = O, S, Se, Te), ZnF2, and ZnO/ZnF2: A DFT Investigation within PBE, PBE + U, and Hybrid HSE Functionals
EM Flores, ML Moreira, MJ Piotrowski
The Journal of Physical Chemistry A 124 (19), 3778-3785, 2020
582020
Hybrid density functional study of small Rh clusters
JLF Da Silva, MJ Piotrowski, F Aguilera-Granja
Physical Review B—Condensed Matter and Materials Physics 86 (12), 125430, 2012
572012
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
542011
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
522015
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
492015
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
482014
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
432012
Bulk structures of PtO and PtO from density functional calculations
RK Nomiyama, MJ Piotrowski, JLF Da Silva
Physical Review B—Condensed Matter and Materials Physics 84 (10), 100101, 2011
432011
CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation
RV de Amorim, KEA Batista, GR Nagurniak, RP Orenha, RLT Parreira, ...
Dalton Transactions 49 (19), 6407-6417, 2020
422020
Role of van der Waals corrections for the Pt (, S, Se) compounds
MJ Piotrowski, RK Nomiyama, JLF Da Silva
Physical Review B—Condensed Matter and Materials Physics 88 (7), 075421, 2013
352013
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), 2011
352011
Ab Initio Insights into the Formation Mechanisms of 55-Atom Pt-Based Core–Shell Nanoalloys
PCD Mendes, SG Justo, J Mucelini, MD Soares, KEA Batista, MG Quiles, ...
The Journal of Physical Chemistry C 124 (1), 1158-1164, 2019
322019
Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters
KEA Batista, VK Ocampo-Restrepo, MD Soares, MG Quiles, MJ Piotrowski, ...
Journal of chemical information and modeling 60 (2), 537-545, 2020
302020
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