M
Maurício J. Piotrowski
Researcher at Universidade Federal de Pelotas
Publications - 51
Citations - 1191
Maurício J. Piotrowski is an academic researcher from Universidade Federal de Pelotas. The author has contributed to research in topics: Density functional theory & van der Waals force. The author has an hindex of 17, co-authored 43 publications receiving 926 citations. Previous affiliations of Maurício J. Piotrowski include University of São Paulo & Universidade Federal de Santa Maria.
Papers
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Density functional theory investigation of 3d, 4d, and 5d 13-atom metal clusters
TL;DR: In this paper, a density functional theory study of the atomic structure, binding energies, effective coordination numbers, average bond lengths, and magnetic properties of the $3d, $4d, and $5d$ metal (30 elements) clusters containing 13 atoms was performed.
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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
TL;DR: An extensive and comparative study addresses size effects along with the evolution of d-orbital occupation for the TMn gas-phase cluster properties, found to be the main stabilization mechanism, helping in the understanding of the structural patterns.
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The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation
Anderson S. Chaves,Gustavo G. Rondina,Maurício J. Piotrowski,Polina Tereshchuk,Juarez L. F. Da Silva +4 more
TL;DR: Considering fixed cluster sizes, it is found that distinct charge states lead to different structural geometries, revealing a clear tendency of decreasing average coordination as the electron density is increased, allowing us to conclude that sd hybridization is one of the mechanisms for stabilization for Pt(n) clusters.
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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+U of 42 Metal Systems
Maurício J. Piotrowski,Crina Georgeta Ungureanu,Polina Tereshchuk,Krys E. A. Batista,Anderson S. Chaves,Diego Guedes-Sobrinho,Juarez L. F. Da Silva +6 more
TL;DR: In this paper, a systematic ab initio investigation of the 55-atom metal nanoclusters, (M55), including alkaline, transitional, and post-transitional metals, is presented.
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Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
Diego Guedes-Sobrinho,Ricardo K. Nomiyama,Anderson S. Chaves,Maurício J. Piotrowski,Juarez L. F. Da Silva +4 more
TL;DR: In this article, a density functional theory investigation of the structural, energetic, and electronic properties of binary PtTM nanoclusters employing 55-atom model systems (PtnTM55-n).