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1
Assessment of the Use of Natural Materials for the Remediation of Cadmium Soil Contamination
Assessment of the Use of Natural Materials for the Remediation of Cadmium Soil Contamination
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Assessment of the Use of Natural Materials for the Remediation of Cadmium Soil Contamination

de O Pinto, Tatiana ; García, Andrés C ; Guedes, Jair do N ; do A Sobrinho, Nelson M B ; Tavares, Orlando C H ; Berbara, Ricardo L L Singer, Andrew C

PloS one, 2016-06, Vol.11 (6), p.e0157547-e0157547 [Periódico revisado por pares]

United States: Public Library of Science

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2
Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations
Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations
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Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations

Guedes-Sobrinho, Diego ; Neves Silveira, Danilo ; de Araujo, Luis O ; Favotto Dalmedico, Jônatas ; Wenzel, W ; Pramudya, Y ; Piotrowski, Maurício J ; Rêgo, Celso R C

Scientific reports, 2023-03, Vol.13 (1), p.4446-4446, Article 4446 [Periódico revisado por pares]

England: Nature Publishing Group

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3
Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties
Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties
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Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties

Pecinatto, H. ; Rêgo, Celso R. C. ; Wenzel, W. ; Frota, C. A. ; Perrone, B. M. S. ; Piotrowski, Maurício J. ; Guedes-Sobrinho, Diego ; Dias, Alexandre C. ; Mota, Cicero ; Gusmão, M. S. S. ; Frota, H. O.

Scientific reports, 2023-10, Vol.13 (1), p.17157-17157, Article 17157 [Periódico revisado por pares]

London: Nature Publishing Group

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4
Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites
Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites
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Relativistic DFT-1/2 Calculations Combined with a Statistical Approach for Electronic and Optical Properties of Mixed Metal Hybrid Perovskites

Guedes-Sobrinho, Diego ; Guilhon, Ivan ; Marques, Marcelo ; K. Teles, Lara

The journal of physical chemistry letters, 2019-08, Vol.10 (15), p.4245-4251 [Periódico revisado por pares]

United States: American Chemical Society

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5
Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach
Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach
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Theoretical Exploration of Structural and Excitonic Properties in Black Phosphorus: From First-Principles to a Semi-Empirical Approach

Guedes-Sobrinho, Diego ; Caldeira Rêgo, Celso R. ; Da Silva, Gabriel Reynald ; Da Silva, Henrique R. ; Wenzel, W. ; Piotrowski, Maurício J. ; Cavalheiro Dias, Alexandre

Journal of physical chemistry. C, 2024-05, Vol.128 (17), p.7242-7251 [Periódico revisado por pares]

American Chemical Society

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6
Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo Nanoalloys
Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo Nanoalloys
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Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo Nanoalloys

Guedes-Sobrinho, Diego ; Freire, Rafael L. H ; Chaves, Anderson S ; Da Silva, Juarez L. F

Journal of physical chemistry. C, 2017-12, Vol.121 (49), p.27721-27732 [Periódico revisado por pares]

American Chemical Society

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7
Physical and Chemical Properties of Unsupported (MO2) n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm
Physical and Chemical Properties of Unsupported (MO2) n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm
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Physical and Chemical Properties of Unsupported (MO2) n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm

Zibordi-Besse, Larissa ; Seminovski, Yohanna ; Rosalino, Israel ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. F

Journal of physical chemistry. C, 2018-12, Vol.122 (48), p.27702-27712 [Periódico revisado por pares]

American Chemical Society

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8
Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations
Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations
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Thermodynamic Stability and Structural Insights for CH3NH3Pb1−xSixI3, CH3NH3Pb1−xGexI3, and CH3NH3Pb1−xSnxI3 Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations

Guedes-Sobrinho, Diego ; Guilhon, Ivan ; Marques, Marcelo ; Teles, Lara K.

Scientific reports, 2019-07, Vol.9 (1), p.11061-11061, Article 11061 [Periódico revisado por pares]

London: Nature Publishing Group UK

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9
Unveiling excitons in two-dimensional β -pnictogens
Unveiling excitons in two-dimensional β -pnictogens
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Unveiling excitons in two-dimensional β -pnictogens

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

Scientific reports, 2024-05, Vol.14 (1), p.11710-11710, Article 11710 [Periódico revisado por pares]

England: Nature Publishing Group

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10
Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces
Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces
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Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces

Freire, Rafael L. H ; Guedes-Sobrinho, Diego ; Kiejna, Adam ; Da Silva, Juarez L. F

Journal of physical chemistry. C, 2018-01, Vol.122 (3), p.1577-1588 [Periódico revisado por pares]

American Chemical Society

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