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Corrosion performance of the biocompatible β-Ti12Mo6Zr2Fe alloy submitted to laser and plasma-nitriding surface modifications
Corrosion performance of the biocompatible β-Ti12Mo6Zr2Fe alloy submitted to laser and plasma-nitriding surface modifications
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Corrosion performance of the biocompatible β-Ti12Mo6Zr2Fe alloy submitted to laser and plasma-nitriding surface modifications

Travessa, Dilermando Nagle ; Guedes, Geovana Vilas Bôas ; de Oliveira, Aline Capella ; Silva Sobrinho, Argemiro Soares da ; Roche, Virginie ; Jorge, Alberto Moreira

Corrosion science, 2022-12, Vol.209, p.110740, Article 110740 [Periódico revisado por pares]

Elsevier Ltd

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2
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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3
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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4
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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5
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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6
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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7
Impact of the Polymorphism and Relativistic Effects on the Electronic Properties of Inorganic Metal Halide Perovskites
Impact of the Polymorphism and Relativistic Effects on the Electronic Properties of Inorganic Metal Halide Perovskites
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Impact of the Polymorphism and Relativistic Effects on the Electronic Properties of Inorganic Metal Halide Perovskites

Octavio de Araujo, Luis ; Rêgo, Celso R. C ; Wenzel, W ; Sabino, Fernando P ; Guedes-Sobrinho, Diego

Journal of physical chemistry. C, 2022-02, Vol.126 (4), p.2131-2140 [Periódico revisado por pares]

American Chemical Society

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8
Bulk Rashba Effect Splitting and Suppression in Polymorphs of Metal Iodine Perovskites
Bulk Rashba Effect Splitting and Suppression in Polymorphs of Metal Iodine Perovskites
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Bulk Rashba Effect Splitting and Suppression in Polymorphs of Metal Iodine Perovskites

Octavio de Araujo, Luis ; Sabino, Fernando P ; Rêgo, Celso R. C ; Guedes-Sobrinho, Diego

The journal of physical chemistry letters, 2021-08, Vol.12 (30), p.7245-7251 [Periódico revisado por pares]

American Chemical Society

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9
Automated workflow for analyzing thermodynamic stability in polymorphic perovskite alloys
Automated workflow for analyzing thermodynamic stability in polymorphic perovskite alloys
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Automated workflow for analyzing thermodynamic stability in polymorphic perovskite alloys

de Araujo, Luis Octavio ; Rêgo, Celso R. C. ; Wenzel, Wolfgang ; Piotrowski, Maurício Jeomar ; Dias, Alexandre Cavalheiro ; Guedes-Sobrinho, Diego

npj computational materials, 2024-07, Vol.10 (1), p.146-14, Article 146 [Periódico revisado por pares]

London: Nature Publishing Group

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10
Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2
Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2
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Ab Initio Investigation of Atomistic Insights into the Nanoflake Formation of Transition-Metal Dichalcogenides: The Examples of MoS2, MoSe2, and MoTe2

Caturello, Naidel A. M. S ; Besse, Rafael ; Da Silva, Augusto C. H ; Guedes-Sobrinho, Diego ; Lima, Matheus P ; Da Silva, Juarez L. F

Journal of physical chemistry. C, 2018-11, Vol.122 (47), p.27059-27069 [Periódico revisado por pares]

American Chemical Society

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