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X
Piotrowski, Maurício J.
85  Ergebnisse:
Personensuche X
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1

Tuning Electronic and Structural Properties of Lead‐Free Me..:

Dalmedico, J. F. ; Silveira, D. N. ; O. de Araujo, L....
ChemPhysChem.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Promising TMDC-like optical and excitonic properties of the..:

Batista, André L. de O. ; Palheta, João Marcos T. ; Piotrowski, Maurício J....
Dalton Transactions.  53 (2024)  2 - p. 746-752 , 2024
Link: https://doi.org/10.1039/..
 
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3

Theoretical Exploration of Structural and Excitonic Propert..:

Guedes-Sobrinho, Diego ; Caldeira Rêgo, Celso R. ; Da Silva, Gabriel Reynald...
The Journal of Physical Chemistry C.  128 (2024)  17 - p. 7242-7251 , 2024
Link: https://doi.org/10.1021/..
 
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4

Cage doping of Ti, Zr, and Hf-based 13-atom nanoclusters: t..:

Piotrowski, Maurício J. ; Palheta, João Marcos T. ; Fournier, René
Physical Chemistry Chemical Physics.  26 (2024)  17 - p. 13172-13181 , 2024
Link: https://doi.org/10.1039/..
 
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5

Unveiling excitons in two-dimensional $$\beta$$-pnictogens:

Guassi, Marcos R. ; Besse, Rafael ; Piotrowski, Maurício J....
Scientific Reports.  14 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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6

Thermodynamic modeling and electronic properties of CsPb1−x..:

Araujo, Luis Octavio de ; Rêgo, Celso R.C. ; Wenzel, Wolfgang...
Journal of Alloys and Compounds.  992 (2024)  - p. 174485 , 2024
Link: https://doi.org/10.1016/..
 
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7

Rational design of promising candidates for photoactive lay..:

Orenha, Renato P. ; Ramos, Salvador B. ; Natal, Maria L. L....
Journal of Physical Organic Chemistry.  37 (2023)  7 - p. , 2023
Link: https://doi.org/10.1002/..
 
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8

Unveiling oxygen vacancy impact on lizardite thermo and mec..:

Pecinatto, H. ; Rêgo, Celso R. C. ; Wenzel, W....
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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9

Revealing the impact of organic spacers and cavity cations ..:

Guedes-Sobrinho, Diego ; Neves Silveira, Danilo ; de Araujo, Luis O....
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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10

How cation nature controls the bandgap and bulk Rashba spli..:

de Araujo, Luis Octavio ; Rêgo, Celso R. C. ; Wenzel, W....
Journal of Computational Chemistry.  44 (2023)  14 - p. 1395-1403 , 2023
Link: https://doi.org/10.1002/..
 
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11

The effect of different energy portions on the 2D/3D stabil..:

Guedes-Sobrinho, Diego ; Orenha, Renato P. ; Parreira, Renato L. T....
Physical Chemistry Chemical Physics.  24 (2022)  11 - p. 6515-6524 , 2022
Link: https://doi.org/10.1039/..
 
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12

Molecular adsorption on coinage metal subnanoclusters: ADFT..:

Felix, João P. C. S. ; Batista, Krys E. A. ; Morais, Wesley O....
Journal of Computational Chemistry.  44 (2022)  10 - p. 1040-1051 , 2022
Link: https://doi.org/10.1002/..
 
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13

Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)1..:

Peraça, Carina S. T. ; Andriani, Karla F. ; Piotrowski, Maurício J..
The Journal of Physical Chemistry C.  126 (2022)  29 - p. 11937-11948 , 2022
Link: https://doi.org/10.1021/..
 
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14

Energy Decomposition to Access the Stability Changes Induce..:

Batista, Krys E. A. ; Soares, Marinalva D. ; Quiles, Marcos G...
Journal of Chemical Information and Modeling.  61 (2021)  5 - p. 2294-2301 , 2021
Link: https://doi.org/10.1021/..
 
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15

Assessment of the van der Waals, Hubbard U parameter and sp..:

Piotrowski, Maurício J. ; Orenha, Renato P. ; Parreira, Renato L. T..
Journal of Computational Chemistry.  43 (2021)  4 - p. 230-243 , 2021
Link: https://doi.org/10.1002/..
 
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