Maurício J. Piotrowski

All papers authored by Maurício J. Piotrowski

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2020 Krys E. A. Batista

, Vivianne K. Ocampo-Restrepo, Marinalva D. Soares, Marcos G. Quiles

, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters

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Renato Pereira Orenha

, Nelson Henrique Morgon, Julia Contreras-García, Graziele Cappato Guerra Silva, Glaucio Régis Nagurniak

, Maurício Jeomar Piotrowski

, Giovanni Finoto Caramori

, Alvaro Muñoz-Castro

, Renato Luis Tame Parreira

How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?

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Carina S. T. Peraça, Glaucio R. Nagurniak

, Renato P. Orenha

, Renato L. T. Parreira

, Maurício J. Piotrowski

A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study

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2019 Paulo C. D. Mendes

, Stella G. Justo, Johnatan Mucelini, Marinalva D. Soares, Krys E. A. Batista

, Marcos G. Quiles

, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Ab Initio Insights into the Formation Mechanisms of 55-Atom Pt-Based Core–Shell Nanoalloys

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2018 Efracio Mamani Flores

, Rogério Almeida Gouvea

, Maurício Jeomar Piotrowski

, Mário Lucio Moreira

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study

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2017 Diego Guedes-Sobrinho

, Anderson S. Chaves, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

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Anderson S. Chaves

, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TMn systems for n = 2–15): a density functional theory investigation

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2016 Maurício J. Piotrowski

, Crina G. Ungureanu, Polina Tereshchuk, Krys E. A. Batista, Anderson S. Chaves, Diego Guedes-Sobrinho, Juarez L. F. Da Silva

Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+Uof 42 Metal Systems

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Krys E. A. Batista

, Maurício J. Piotrowski

, Anderson S. Chaves, Juarez L. F. Da Silva

A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt

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2015 Diego Guedes-Sobrinho, Ricardo K. Nomiyama, Anderson S. Chaves, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n(TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation

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Anderson S. Chaves, Gustavo G. Rondina, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Structural formation of binary PtCu clusters: A density functional theory investigation

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Anderson S. Chaves, Mauricio J. Piotrowski

, Diego Guedes-Sobrinho, Juarez L. F. Da Silva

Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu-13, Pt7Cu6, and Pt-13

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Polina Tereshchuk, Maurício J. Piotrowski

, Juarez L. F. Da Silva

Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations

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2014 Anderson S. Chaves, Gustavo G. Rondina, Maurício J. Piotrowski

, Polina Tereshchuk, Juarez L. F. Da Silva

The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation

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Maurício J. Piotrowski

, Polina Tereshchuk, Juarez L. F. Da Silva

Theoretical Investigation of Small Transition-Metal Clusters Supported on the CeO2(111) Surface

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2013 Maurício J. Piotrowski

, Ricardo K. Nomiyama, Juarez L. F. Da Silva

Role of van der Waals corrections for the PtX2(X=O, S, Se) compounds

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Faustino Aguilera-Granja, Maur´ıcio J. Piotrowski

, Juarez L. F. da Silva

Structural and electronic properties of TM23−pAgp (TM = Ni, Pd, and Pt) clusters in the dilute limit (p = 0–4): A density functional theory investigation

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2012 Juarez L. F. Da Silva, Maurício J. Piotrowski

, F. Aguilera-Granja

Hybrid density functional study of small Rhn(n=2−15)clusters

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Maurício J. Piotrowski

, Paulo Piquini

, Zhenhua Zeng, Juarez L. F. Da Silva

Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation

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Maurício J. Piotrowski

, Paulo Piquini

, Juarez L. F. Da Silva

Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation

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All papers authored by Maurício J. Piotrowski