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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
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
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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

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

Journal of physical chemistry. C, 2016-12, Vol.120 (50), p.28844-28856 [Periódico revisado por pares]

American Chemical Society

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12
The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters
The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters
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The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters

Guedes-Sobrinho, Diego ; Orenha, Renato P ; Parreira, Renato L. T ; Nagurniak, Glaucio R ; Da Silva, Gabriel Reynald ; Piotrowski, Maurício J

Physical chemistry chemical physics : PCCP, 2022-03, Vol.24 (11), p.6515-6524 [Periódico revisado por pares]

England: Royal Society of Chemistry

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13
Unveiling excitons in two-dimensional $$\beta$$ β -pnictogens
Unveiling excitons in two-dimensional $$\beta$$ β -pnictogens
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Unveiling excitons in two-dimensional $$\beta$$ β -pnictogens

Marcos R. Guassi ; Rafael Besse ; Maurício J. Piotrowski ; Celso R. C. Rêgo ; Diego Guedes-Sobrinho ; Andréia Luisa da Rosa ; Alexandre Cavalheiro Dias

Scientific reports, 2024-05, Vol.14 (1), p.1-10 [Periódico revisado por pares]

Nature Portfolio

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14
Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters
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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Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

Guedes-Sobrinho, Diego ; Chaves, Anderson S. ; Piotrowski, Maurício J. ; Da Silva, Juarez L. F.

The Journal of chemical physics, 2017-04, Vol.146 (16), p.164304-164304 [Periódico revisado por pares]

Melville: American Institute of Physics

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15
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13
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Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu 13 , Pt 7 Cu 6 , and Pt 13

Chaves, Anderson S. ; Piotrowski, Maurício J. ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (47), p.11565-11573 [Periódico revisado por pares]

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16
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
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
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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

Chaves, Anderson S ; Piotrowski, Maurício J ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-11, Vol.119 (47), p.11565-11573 [Periódico revisado por pares]

United States: American Chemical Society

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17
Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation
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Structure, Electronic, and Magnetic Properties of Binary Pt n TM 55– n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation

Guedes-Sobrinho, Diego ; Nomiyama, Ricardo K. ; Chaves, Anderson S. ; Piotrowski, Maurício J. ; Da Silva, Juarez L. F.

Journal of physical chemistry. C, 2015-07, Vol.119 (27), p.15669-15679 [Periódico revisado por pares]

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18
Density functional investigation of the adsorption effects of PH 3 and SH 2 on the structure stability of the Au 55 and Pt 55 nanoclusters
Density functional investigation of the adsorption effects of PH 3 and SH 2 on the structure stability of the Au 55 and Pt 55 nanoclusters
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Density functional investigation of the adsorption effects of PH 3 and SH 2 on the structure stability of the Au 55 and Pt 55 nanoclusters

Guedes-Sobrinho, Diego ; Chaves, Anderson S ; Piotrowski, Maurício J ; Da Silva, Juarez L F

The Journal of chemical physics, 2017-04, Vol.146 (16), p.164304 [Periódico revisado por pares]

United States

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