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Artigo de periodico
Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches (2024)
Souza, Tiago M.; Pena, Lucas B; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, MINERAÇÃO DE DADOS, ELETRÓLISE, PALÁDIO, NÍQUEL
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ABNT
SOUZA, Tiago M. et al. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches. Physical Chemistry Chemical Physics - PCCP, 2024Tradução . . Disponível em: https://doi.org/10.1039/D4CP00672K. Acesso em: 29 jun. 2024.
APA
Souza, T. M., Pena, L. B., Silva, J. L. F. da, & Galvão, B. R. L. (2024). Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches. Physical Chemistry Chemical Physics - PCCP. doi:10.1039/D4CP00672K
NLM
Souza TM, Pena LB, Silva JLF da, Galvão BRL. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches [Internet]. Physical Chemistry Chemical Physics - PCCP. 2024 ;[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D4CP00672K
Vancouver
Souza TM, Pena LB, Silva JLF da, Galvão BRL. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches [Internet]. Physical Chemistry Chemical Physics - PCCP. 2024 ;[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D4CP00672K
Artigo de periodico
Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries (2023)
Fiates, Juliane; Ratochinski, Rafael Henrique; Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da ; Dias, Luis Gustavo
Source: Journal of Molecular Liquids. Unidades: IQSC, FFCLRP, FCFRP
Assunto: ELETRÓLITOS
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ABNT
FIATES, Juliane et al. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries. Journal of Molecular Liquids, v. 369, p. 120919, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2022.120919. Acesso em: 29 jun. 2024.
APA
Fiates, J., Ratochinski, R. H., Lourenço, T. da C., Silva, J. L. F. da, & Dias, L. G. (2023). Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries. Journal of Molecular Liquids, 369, 120919. doi:10.1016/j.molliq.2022.120919
NLM
Fiates J, Ratochinski RH, Lourenço T da C, Silva JLF da, Dias LG. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries [Internet]. Journal of Molecular Liquids. 2023 ;369 120919.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919
Vancouver
Fiates J, Ratochinski RH, Lourenço T da C, Silva JLF da, Dias LG. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries [Internet]. Journal of Molecular Liquids. 2023 ;369 120919.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919
Trabalho de evento-resumo
Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory (2023)
Inui, Guilherme K. ; Besse, Rafael ; Silva, Juarez Lopes Ferreira da
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC
Subjects: ENERGIA SOLAR, SEMICONDUTORES
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ABNT
INUI, Guilherme K. e BESSE, Rafael e SILVA, Juarez Lopes Ferreira da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory. 2023, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. Disponível em: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf. Acesso em: 29 jun. 2024.
APA
Inui, G. K., Besse, R., & Silva, J. L. F. da. (2023). Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory. In Anais. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf
NLM
Inui GK, Besse R, Silva JLF da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory [Internet]. Anais. 2023 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf
Vancouver
Inui GK, Besse R, Silva JLF da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory [Internet]. Anais. 2023 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf
Artigo de periodico
Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface (2023)
MORAES, PEDRO IVO RODRIGUES; Bittencourt, Albert F. B ; Andriani, Karla Furtado ; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry C. Unidade: IQSC
Subjects: HIDROCARBONOS, ENERGIA, ÍONS
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ABNT
MORAES, PEDRO IVO RODRIGUES et al. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface. Journal of Physical Chemistry C, v. 127, p. 16357–16366, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c02653. Acesso em: 29 jun. 2024.
APA
MORAES, P. E. D. R. O. I. V. O. R. O. D. R. I. G. U. E. S., Bittencourt, A. F. B., Andriani, K. F., & Silva, J. L. F. da. (2023). Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface. Journal of Physical Chemistry C, 127, 16357–16366. doi:10.1021/acs.jpcc.3c02653
NLM
MORAES PEDROIVORODRIGUES, Bittencourt AFB, Andriani KF, Silva JLF da. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface [Internet]. Journal of Physical Chemistry C. 2023 ; 127 16357–16366.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653
Vancouver
MORAES PEDROIVORODRIGUES, Bittencourt AFB, Andriani KF, Silva JLF da. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface [Internet]. Journal of Physical Chemistry C. 2023 ; 127 16357–16366.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653
Trabalho de evento-resumo
A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters (2023)
Peraça, Carina S. T; Andriani, Karla Furtado ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC
Subjects: METANO, CLUSTERS
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ABNT
PERAÇA, Carina S. T et al. A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters. 2023, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. Disponível em: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/219_1675445121.pdf. Acesso em: 29 jun. 2024.
APA
Peraça, C. S. T., Andriani, K. F., Piotrowski, M. J., & Silva, J. L. F. da. (2023). A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters. In Anais. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/219_1675445121.pdf
NLM
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters [Internet]. Anais. 2023 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/219_1675445121.pdf
Vancouver
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. A DFT Investigation of CH4 Activation and Dehydrogenation on Ceria Clusters [Internet]. Anais. 2023 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/219_1675445121.pdf
Artigo de periodico
Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites (2023)
Ribeiro, Israel C.; MORAES, PEDRO IVO RODRIGUES; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: CONDUTIVIDADE ELÉTRICA, ÍONS
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ABNT
RIBEIRO, Israel C. et al. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, v. 127, n. 28, p. 13667–13677, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c01894. Acesso em: 29 jun. 2024.
APA
Ribeiro, I. C., MORAES, P. E. D. R. O. I. V. O. R. O. D. R. I. G. U. E. S., Bittencourt, A. F. B., & Silva, J. L. F. da. (2023). Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, 127( 28), 13667–13677. doi:10.1021/acs.jpcc.3c01894
NLM
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Vancouver
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Artigo de periodico
Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures (2023)
Griffith, M.A.R.; Rufo, S; Dias, Alexandre Cavalheiro ; Silva, Juarez Lopes Ferreira da
Source: Computational Materials Science. Unidade: IQSC
Assunto: TOPOLOGIA
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ABNT
GRIFFITH, M.A.R. et al. Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures. Computational Materials Science, v. 218, p. 112004, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.commatsci.2022.112004. Acesso em: 29 jun. 2024.
APA
Griffith, M. A. R., Rufo, S., Dias, A. C., & Silva, J. L. F. da. (2023). Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures. Computational Materials Science, 218, 112004. doi:10.1016/j.commatsci.2022.112004
NLM
Griffith MAR, Rufo S, Dias AC, Silva JLF da. Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures [Internet]. Computational Materials Science. 2023 ; 218 112004.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1016/j.commatsci.2022.112004
Vancouver
Griffith MAR, Rufo S, Dias AC, Silva JLF da. Enhancing topological Weyl Semimetals by Janus transition-metal dichalcogenides structures [Internet]. Computational Materials Science. 2023 ; 218 112004.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1016/j.commatsci.2022.112004
Artigo de periodico
Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides (2023)
Querne, Mateus Bazan Peters ; Bracht, Jean M; Silva, Juarez Lopes Ferreira da ; Janotti, Anderson; Lima, Matheus P
Source: Physical Review B. Unidade: IQSC
Subjects: SEMICONDUTORES, CRISTALOGRAFIA FÍSICA
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ABNT
QUERNE, Mateus Bazan Peters et al. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides. Physical Review B, p. 085409, 2023Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.108.085409. Acesso em: 29 jun. 2024.
APA
Querne, M. B. P., Bracht, J. M., Silva, J. L. F. da, Janotti, A., & Lima, M. P. (2023). Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides. Physical Review B, 085409. doi:10.1103/PhysRevB.108.085409
NLM
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides [Internet]. Physical Review B. 2023 ; 085409.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1103/PhysRevB.108.085409
Vancouver
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides [Internet]. Physical Review B. 2023 ; 085409.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1103/PhysRevB.108.085409
Artigo de periodico
Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers (2022)
Silveira, Julian Francisco Rama Vieira ; Besse, Rafael ; Dias, Alexandre Cavalheiro ; Caturello, Naidel A. M. S. ; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry C. Unidades: IQSC, IFSC
Subjects: FÍSICO-QUÍMICA, METAIS, QUÍMICA TEÓRICA
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ABNT
SILVEIRA, Julian Francisco Rama Vieira et al. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, v. 126, n. 21, p. 9173-9184, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c02023. Acesso em: 29 jun. 2024.
APA
Silveira, J. F. R. V., Besse, R., Dias, A. C., Caturello, N. A. M. S., & Silva, J. L. F. da. (2022). Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, 126( 21), 9173-9184. doi:10.1021/acs.jpcc.2c02023
NLM
Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
Vancouver
Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
Trabalho de evento-resumo
The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining (2022)
Sousa, Priscilla Felício ; Andriani, Karla Furtado ; Morais, Felipe Orlando ; Silva, Juarez Lopes Ferreira da
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidades: IQSC, IFSC
Subjects: METANO, CATALISADORES, MINERAÇÃO DE DADOS
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ABNT
SOUSA, Priscilla Felício et al. The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining. 2022, Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2022. Disponível em: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/1173_1647817321.pdf. Acesso em: 29 jun. 2024.
APA
Sousa, P. F., Andriani, K. F., Morais, F. O., & Silva, J. L. F. da. (2022). The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining. In Anais. São Paulo: Sociedade Brasileira de Química - SBQ. Recuperado de https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/1173_1647817321.pdf
NLM
Sousa PF, Andriani KF, Morais FO, Silva JLF da. The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining [Internet]. Anais. 2022 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/1173_1647817321.pdf
Vancouver
Sousa PF, Andriani KF, Morais FO, Silva JLF da. The quantum-size effects on the first dehydrogenation of CH4 on 3d TMn (TM = Fe, Co, Ni, Cu where n = 4 - 15) clusters: DFT combined with data mining [Internet]. Anais. 2022 ;[citado 2024 jun. 29 ] Available from: https://www.eventweb.com.br/45rasbq/specific-files/manuscripts/45rasbq/1173_1647817321.pdf
Artigo de periodico
Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters (2022)
Collacique, Matheus N; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CLUSTERS, ADSORÇÃO
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ABNT
COLLACIQUE, Matheus N e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, v. 156, p. 124106-1, 2022Tradução . . Disponível em: https://aip.scitation.org/doi/pdf/10.1063/5.0085364. Acesso em: 29 jun. 2024.
APA
Collacique, M. N., Restrepo, V. k, & Silva, J. L. F. da. (2022). Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, 156, 124106-1. doi:10.1063/5.0085364
NLM
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 jun. 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Vancouver
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 jun. 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Artigo de periodico
Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder (2022)
Oliveira, Andre F ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: ENERGIA, MOLÉCULA
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ABNT
OLIVEIRA, Andre F e SILVA, Juarez Lopes Ferreira da e QUILES, Marcos Gonçalves. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of Chemical Information and Modeling, v. 62, p. 817−828, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c01573. Acesso em: 29 jun. 2024.
APA
Oliveira, A. F., Silva, J. L. F. da, & Quiles, M. G. (2022). Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of Chemical Information and Modeling, 62, 817−828. doi:10.1021/acs.jcim.1c01573
NLM
Oliveira AF, Silva JLF da, Quiles MG. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 817−828.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jcim.1c01573
Vancouver
Oliveira AF, Silva JLF da, Quiles MG. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 817−828.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1021/acs.jcim.1c01573
Artigo de periodico
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface (2022)
Bartaquim, Eduardo O; Bezerra, Raquel C; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ADSORÇÃO, MOLÉCULA, COMPUTAÇÃO APLICADA
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ABNT
BARTAQUIM, Eduardo O et al. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, v. 24, p. 20294, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp02663e. Acesso em: 29 jun. 2024.
APA
Bartaquim, E. O., Bezerra, R. C., Bittencourt, A. F. B., & Silva, J. L. F. da. (2022). Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, 24, 20294. doi:10.1039/d2cp02663e
NLM
Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/d2cp02663e
Vancouver
Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/d2cp02663e
Artigo de periodico
Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction (2022)
Verga, Lucas Garcia ; Mendes, Paulo de Carvalho Dias ; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Catalysis Science & Technology. Unidades: IQSC, CENA
Subjects: ELETROQUÍMICA, CATALISADORES, REDUÇÃO
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ABNT
VERGA, Lucas Garcia et al. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction. Catalysis Science & Technology, v. 12, p. 869-879, 2022Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B. Acesso em: 29 jun. 2024.
APA
Verga, L. G., Mendes, P. de C. D., Restrepo, V. k, & Silva, J. L. F. da. (2022). Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction. Catalysis Science & Technology, 12, 869-879. doi:10.1039/D1CY02010B
NLM
Verga LG, Mendes P de CD, Restrepo V k, Silva JLF da. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction [Internet]. Catalysis Science & Technology. 2022 ; 12 869-879.[citado 2024 jun. 29 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
Vancouver
Verga LG, Mendes P de CD, Restrepo V k, Silva JLF da. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction [Internet]. Catalysis Science & Technology. 2022 ; 12 869-879.[citado 2024 jun. 29 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
Artigo de periodico
Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining (2022)
Andriani, Karla Furtado ; Sousa, Priscilla Felício ; Morais, Felipe Orlando ; Silva, Juarez Lopes Ferreira da
Source: Catalysis Science and Technology. Unidades: IQSC, IFSC
Subjects: METANO, CATALISADORES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ANDRIANI, Karla Furtado et al. Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining. Catalysis Science and Technology, v. 12, n. 3, p. 916-926, 2022Tradução . . Disponível em: https://doi.org/10.1039/d1cy01785c. Acesso em: 29 jun. 2024.
APA
Andriani, K. F., Sousa, P. F., Morais, F. O., & Silva, J. L. F. da. (2022). Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining. Catalysis Science and Technology, 12( 3), 916-926. doi:10.1039/d1cy01785c
NLM
Andriani KF, Sousa PF, Morais FO, Silva JLF da. Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining [Internet]. Catalysis Science and Technology. 2022 ; 12( 3): 916-926.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/d1cy01785c
Vancouver
Andriani KF, Sousa PF, Morais FO, Silva JLF da. Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining [Internet]. Catalysis Science and Technology. 2022 ; 12( 3): 916-926.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/d1cy01785c
Artigo de periodico
Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters (2021)
Sousa, Priscilla Felício; Andriani, Karla Furtado ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ADSORÇÃO, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SOUSA, Priscilla Felício e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, v. 23, p. 8739–8751, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP06091G. Acesso em: 29 jun. 2024.
APA
Sousa, P. F., Andriani, K. F., & Silva, J. L. F. da. (2021). Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, 23, 8739–8751. doi:10.1039/D0CP06091G
NLM
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D0CP06091G
Vancouver
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D0CP06091G
Artigo de periodico
Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures (2021)
Besse, Rafael ; Silveira, Julian Francisco Rama Vieira ; Jiang, Zeyu; West, Damien; Zhang, Shengbai; Silva, Juarez Lopes Ferreira da
Source: 2D Materials. Unidades: IQSC, IFSC
Subjects: FÍSICO-QUÍMICA, HIBRIDIZAÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BESSE, Rafael et al. Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures. 2D Materials, v. 8, n. 4, p. 041002-1-041002-7, 2021Tradução . . Disponível em: https://doi.org/10.1088/2053-1583/ac1902. Acesso em: 29 jun. 2024.
APA
Besse, R., Silveira, J. F. R. V., Jiang, Z., West, D., Zhang, S., & Silva, J. L. F. da. (2021). Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures. 2D Materials, 8( 4), 041002-1-041002-7. doi:10.1088/2053-1583/ac1902
NLM
Besse R, Silveira JFRV, Jiang Z, West D, Zhang S, Silva JLF da. Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures [Internet]. 2D Materials. 2021 ; 8( 4): 041002-1-041002-7.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1088/2053-1583/ac1902
Vancouver
Besse R, Silveira JFRV, Jiang Z, West D, Zhang S, Silva JLF da. Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures [Internet]. 2D Materials. 2021 ; 8( 4): 041002-1-041002-7.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1088/2053-1583/ac1902
Artigo de periodico
Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles (2021)
Mendonça, João Paulo A. de ; Lourenço, Tuanan da Costa ; Freitas, Luis Paulo M ; Anderson A. E. Santo ; Feliciano, Gustavo T ; Silva, Juarez Lopes Ferreira da
Source: Materials Advances. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, CATÁLISE, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MENDONÇA, João Paulo A. de et al. Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles. Materials Advances, v. 2, p. se2021, 2021Tradução . . Disponível em: https://doi.org/10.1039/D1MA00543J. Acesso em: 29 jun. 2024.
APA
Mendonça, J. P. A. de, Lourenço, T. da C., Freitas, L. P. M., Anderson A. E. Santo,, Feliciano, G. T., & Silva, J. L. F. da. (2021). Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles. Materials Advances, 2, se2021. doi:10.1039/D1MA00543J
NLM
Mendonça JPA de, Lourenço T da C, Freitas LPM, Anderson A. E. Santo, Feliciano GT, Silva JLF da. Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles [Internet]. Materials Advances. 2021 ; 2 se2021.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D1MA00543J
Vancouver
Mendonça JPA de, Lourenço T da C, Freitas LPM, Anderson A. E. Santo, Feliciano GT, Silva JLF da. Molecular dynamics investigation of the structural and energetic properties of CeO2–MOx (M = Gd, La, Ce, Zr) nanoparticles [Internet]. Materials Advances. 2021 ; 2 se2021.[citado 2024 jun. 29 ] Available from: https://doi.org/10.1039/D1MA00543J

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