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Artigo de periodico
Thermodynamic modeling and electronic properties of CsPb1-xSnxI3 as a polymorphic alloy (2024)
Araujo, Luis Octavio de; Rêgo, Celso Ricardo Caldeira; Wenzel , Wolfgang; Bastos, Carlos Maciel de Oliveira; Piotrowski, Maurício Jeomar ; Dias, Alexandre Cavalheiro ; Guedes Sobrinho, Diego
Source: Journal of Alloys and Compounds. Unidade: IFSC
Subjects: EFICIÊNCIA ENERGÉTICA, METAIS, FERROELETRICIDADE
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ABNT
ARAUJO, Luis Octavio de et al. Thermodynamic modeling and electronic properties of CsPb1-xSnxI3 as a polymorphic alloy. Journal of Alloys and Compounds, v. 992, p. 174485-1-174485-12 + supplementary material, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.jallcom.2024.174485. Acesso em: 24 maio 2024.
APA
Araujo, L. O. de, Rêgo, C. R. C., Wenzel , W., Bastos, C. M. de O., Piotrowski, M. J., Dias, A. C., & Guedes Sobrinho, D. (2024). Thermodynamic modeling and electronic properties of CsPb1-xSnxI3 as a polymorphic alloy. Journal of Alloys and Compounds, 992, 174485-1-174485-12 + supplementary material. doi:10.1016/j.jallcom.2024.174485
NLM
Araujo LO de, Rêgo CRC, Wenzel W, Bastos CM de O, Piotrowski MJ, Dias AC, Guedes Sobrinho D. Thermodynamic modeling and electronic properties of CsPb1-xSnxI3 as a polymorphic alloy [Internet]. Journal of Alloys and Compounds. 2024 ; 992 174485-1-174485-12 + supplementary material.[citado 2024 maio 24 ] Available from: https://doi.org/10.1016/j.jallcom.2024.174485
Vancouver
Araujo LO de, Rêgo CRC, Wenzel W, Bastos CM de O, Piotrowski MJ, Dias AC, Guedes Sobrinho D. Thermodynamic modeling and electronic properties of CsPb1-xSnxI3 as a polymorphic alloy [Internet]. Journal of Alloys and Compounds. 2024 ; 992 174485-1-174485-12 + supplementary material.[citado 2024 maio 24 ] Available from: https://doi.org/10.1016/j.jallcom.2024.174485
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: 24 maio 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 maio 24 ] 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 maio 24 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/219_1675445121.pdf
Artigo de periodico
Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys (2020)
Mendes, Paulo de Carvalho Dias ; Justo, Stella Granatto ; Mucelini, Johnatan ; Soares, Marinalva Dias ; Batista, Krys Elly de Araújo ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry C. Unidade: IQSC
Subjects: CATALISADORES, NANOPARTÍCULAS
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ABNT
MENDES, Paulo de Carvalho Dias et al. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, v. 124, n. 1, p. 1158-1164, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.9b09561. Acesso em: 24 maio 2024.
APA
Mendes, P. de C. D., Justo, S. G., Mucelini, J., Soares, M. D., Batista, K. E. de A., Quiles, M. G., et al. (2020). Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, 124( 1), 1158-1164. doi:10.1021/acs.jpcc.9b09561
NLM
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Vancouver
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Artigo de periodico
Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight (2020)
Orenha, Renato Pereira ; Silva, Graziele Cappato Guerra; Batista, Ana Paula de Lima ; Oliveira Filho, Antonio Gustavo Sampaio de ; Morgon, Nelson H ; Silva, Vanessa Borges da; Furtado, Saulo Samuel Pereira; Caramori, Giovanni Finoto ; Piotrowski, Maurício Jeomar ; Parreira, Renato Luis Tâme
Source: New Journal of Chemistry. Unidade: FFCLRP
Subjects: ÓXIDO NÍTRICO, RUTÊNIO, REAÇÕES ORGÂNICAS, HIDRÓLISE
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ABNT
ORENHA, Renato Pereira et al. Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight. New Journal of Chemistry, v. 44, p. 11448-11456, 2020Tradução . . Disponível em: https://doi.org/10.1039/d0nj01340d. Acesso em: 24 maio 2024.
APA
Orenha, R. P., Silva, G. C. G., Batista, A. P. de L., Oliveira Filho, A. G. S. de, Morgon, N. H., Silva, V. B. da, et al. (2020). Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight. New Journal of Chemistry, 44, 11448-11456. doi:10.1039/d0nj01340d
NLM
Orenha RP, Silva GCG, Batista AP de L, Oliveira Filho AGS de, Morgon NH, Silva VB da, Furtado SSP, Caramori GF, Piotrowski MJ, Parreira RLT. Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight [Internet]. New Journal of Chemistry. 2020 ; 44 11448-11456.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/d0nj01340d
Vancouver
Orenha RP, Silva GCG, Batista AP de L, Oliveira Filho AGS de, Morgon NH, Silva VB da, Furtado SSP, Caramori GF, Piotrowski MJ, Parreira RLT. Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight [Internet]. New Journal of Chemistry. 2020 ; 44 11448-11456.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/d0nj01340d
Artigo de periodico
Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters (2020)
Batista, Krys Elly de Araújo ; Restrepo, Vivianne k ; Soares, Marinalva Dias ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
BATISTA, Krys Elly de Araújo et al. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, v. 60, p. 537-545, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00792. Acesso em: 24 maio 2024.
APA
Batista, K. E. de A., Restrepo, V. k, Soares, M. D., Quiles, M. G., Piotrowski, M. J., & Silva, J. L. F. da. (2020). Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, 60, 537-545. doi:10.1021/acs.jcim.9b00792
NLM
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Vancouver
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Artigo de periodico
Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55−n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters (2018)
Batista, Krys Elly de Araújo; Silva, Juarez Lopes Ferreira da ; Piotrowski, Maurício Jeomar
Source: Journal of Physical Chemistry C. Unidade: IQSC
Subjects: ÁTOMOS, NANOPARTÍCULAS
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ABNT
BATISTA, Krys Elly de Araújo e SILVA, Juarez Lopes Ferreira da e PIOTROWSKI, Maurício Jeomar. Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55−n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters. Journal of Physical Chemistry C, v. 122, p. 7444-7454, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.7b05714. Acesso em: 24 maio 2024.
APA
Batista, K. E. de A., Silva, J. L. F. da, & Piotrowski, M. J. (2018). Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55−n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters. Journal of Physical Chemistry C, 122, 7444-7454. doi:10.1021/acs.jpcc.7b05714
NLM
Batista KE de A, Silva JLF da, Piotrowski MJ. Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55−n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters [Internet]. Journal of Physical Chemistry C. 2018 ; 122 7444-7454.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.7b05714
Vancouver
Batista KE de A, Silva JLF da, Piotrowski MJ. Ab Initio Investigation of the Role of Atomic Radius in the Structural Formation of PtnTM55−n (TM = Y, Zr, Nb, Mo, and Tc) Nanoclusters [Internet]. Journal of Physical Chemistry C. 2018 ; 122 7444-7454.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.7b05714
Artigo de periodico
Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation (2017)
Chaves, Anderson Silva; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: QUÍMICA, ÁTOMOS
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ABNT
CHAVES, Anderson Silva e PIOTROWSKI, Maurício Jeomar e SILVA, Juarez Lopes Ferreira da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation. Physical Chemistry Chemical Physics, v. 19, n. 23, p. 15484-15502, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp02240a. Acesso em: 24 maio 2024.
APA
Chaves, A. S., Piotrowski, M. J., & Silva, J. L. F. da. (2017). Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation. Physical Chemistry Chemical Physics, 19( 23), 15484-15502. doi:10.1039/c7cp02240a
NLM
Chaves AS, Piotrowski MJ, Silva JLF da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 23): 15484-15502.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/c7cp02240a
Vancouver
Chaves AS, Piotrowski MJ, Silva JLF da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 23): 15484-15502.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/c7cp02240a
Trabalho de evento-resumo
Ab initio study of the atomic radius role in the structural formation of the PtnTM55-n(TM=Y,Zr, Nb, Mo, and Tc) nanoclusters (2017)
Batista, Krys Elly de Araújo; Silva, Juarez Lopes Ferreira da ; Piotrowski, Maurício Jeomar
Source: Program Book. Conference titles: Brazilian MRS Meeting. Unidade: IQSC
Subjects: PLATINA, ÁTOMOS
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ABNT
BATISTA, Krys Elly de Araújo e SILVA, Juarez Lopes Ferreira da e PIOTROWSKI, Maurício Jeomar. Ab initio study of the atomic radius role in the structural formation of the PtnTM55-n(TM=Y,Zr, Nb, Mo, and Tc) nanoclusters. 2017, Anais.. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat, 2017. Disponível em: http://sbpmat.org.br/16encontro/home/index.php. Acesso em: 24 maio 2024.
APA
Batista, K. E. de A., Silva, J. L. F. da, & Piotrowski, M. J. (2017). Ab initio study of the atomic radius role in the structural formation of the PtnTM55-n(TM=Y,Zr, Nb, Mo, and Tc) nanoclusters. In Program Book. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat. Recuperado de http://sbpmat.org.br/16encontro/home/index.php
NLM
Batista KE de A, Silva JLF da, Piotrowski MJ. Ab initio study of the atomic radius role in the structural formation of the PtnTM55-n(TM=Y,Zr, Nb, Mo, and Tc) nanoclusters [Internet]. Program Book. 2017 ;[citado 2024 maio 24 ] Available from: http://sbpmat.org.br/16encontro/home/index.php
Vancouver
Batista KE de A, Silva JLF da, Piotrowski MJ. Ab initio study of the atomic radius role in the structural formation of the PtnTM55-n(TM=Y,Zr, Nb, Mo, and Tc) nanoclusters [Internet]. Program Book. 2017 ;[citado 2024 maio 24 ] Available from: http://sbpmat.org.br/16encontro/home/index.php
Artigo de periodico
Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters (2017)
Guedes-Sobrinho, D; Chaves, A S; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Journal Chemical Physics. Unidade: IQSC
Assunto: NANOTECNOLOGIA
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ABNT
GUEDES-SOBRINHO, D et al. Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters. Journal Chemical Physics, v. 146, n. 16, p. 164304, 2017Tradução . . Disponível em: https://doi.org/10.1063/1.4981791. Acesso em: 24 maio 2024.
APA
Guedes-Sobrinho, D., Chaves, A. S., Piotrowski, M. J., & Silva, J. L. F. da. (2017). Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters. Journal Chemical Physics, 146( 16), 164304. doi:10.1063/1.4981791
NLM
Guedes-Sobrinho D, Chaves AS, Piotrowski MJ, Silva JLF da. Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters [Internet]. Journal Chemical Physics. 2017 ; 146( 16): 164304.[citado 2024 maio 24 ] Available from: https://doi.org/10.1063/1.4981791
Vancouver
Guedes-Sobrinho D, Chaves AS, Piotrowski MJ, Silva JLF da. Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters [Internet]. Journal Chemical Physics. 2017 ; 146( 16): 164304.[citado 2024 maio 24 ] Available from: https://doi.org/10.1063/1.4981791
Artigo de periodico
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 (2016)
Piotrowski, Maurício Jeomar; Ungureanu, Crina Georgeta; Tereshchuk, Polina; Batista, Krys E. A; Chaves, Anderson S; Guedes Sobrinho, Diego; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry C. Unidade: IQSC
Assunto: NANOTECNOLOGIA
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ABNT
PIOTROWSKI, Maurício Jeomar et al. 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. Journal of Physical Chemistry C, v. 120, n. 50, p. 28844-28856, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.6b10404. Acesso em: 24 maio 2024.
APA
Piotrowski, M. J., Ungureanu, C. G., Tereshchuk, P., Batista, K. E. A., Chaves, A. S., Guedes Sobrinho, D., & Silva, J. L. F. da. (2016). 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. Journal of Physical Chemistry C, 120( 50), 28844-28856. doi:10.1021/acs.jpcc.6b10404
NLM
Piotrowski MJ, Ungureanu CG, Tereshchuk P, Batista KEA, Chaves AS, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry C. 2016 ; 120( 50): 28844-28856.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.6b10404
Vancouver
Piotrowski MJ, Ungureanu CG, Tereshchuk P, Batista KEA, Chaves AS, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry C. 2016 ; 120( 50): 28844-28856.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.6b10404
Artigo de periodico
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt (2016)
Batista, Krys E. A.; Piotrowski, Maurício Jeomar; Chaves, Anderson Silva; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: ÁTOMOS, FÍSICA TEÓRICA
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ABNT
BATISTA, Krys E. A. et al. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt. The Journal of Chemical Physics, v. 144, 2016Tradução . . Disponível em: https://doi.org/10.1063/1.4941295. Acesso em: 24 maio 2024.
APA
Batista, K. E. A., Piotrowski, M. J., Chaves, A. S., & Silva, J. L. F. da. (2016). A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt. The Journal of Chemical Physics, 144. doi:10.1063/1.4941295
NLM
Batista KEA, Piotrowski MJ, Chaves AS, Silva JLF da. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt [Internet]. The Journal of Chemical Physics. 2016 ; 144[citado 2024 maio 24 ] Available from: https://doi.org/10.1063/1.4941295
Vancouver
Batista KEA, Piotrowski MJ, Chaves AS, Silva JLF da. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt [Internet]. The Journal of Chemical Physics. 2016 ; 144[citado 2024 maio 24 ] Available from: https://doi.org/10.1063/1.4941295
Artigo de periodico
Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters: a density functional theory investigation (2015)
Guedes Sobrinho, Diego; Nomiyama, Ricardo Kita; Chaves, Anderson Chaves; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry C. Unidade: IQSC
Subjects: CATÁLISE, QUÍMICA
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ABNT
GUEDES SOBRINHO, Diego et al. Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters: a density functional theory investigation. Journal of Physical Chemistry C, v. 119, p. 15669-15679, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.5b02242. Acesso em: 24 maio 2024.
APA
Guedes Sobrinho, D., Nomiyama, R. K., Chaves, A. C., Piotrowski, M. J., & Silva, J. L. F. da. (2015). Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters: a density functional theory investigation. Journal of Physical Chemistry C, 119, 15669-15679. doi:10.1021/acs.jpcc.5b02242
NLM
Guedes Sobrinho D, Nomiyama RK, Chaves AC, Piotrowski MJ, Silva JLF da. Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters: a density functional theory investigation [Internet]. Journal of Physical Chemistry C. 2015 ; 119 15669-15679.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.5b02242
Vancouver
Guedes Sobrinho D, Nomiyama RK, Chaves AC, Piotrowski MJ, Silva JLF da. Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters: a density functional theory investigation [Internet]. Journal of Physical Chemistry C. 2015 ; 119 15669-15679.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpcc.5b02242
Trabalho de evento-resumo
Structural and eletronic properties evolution of sub-nanometer sized transition-metal clusters with inclusion of charge effetcs (2015)
Chaves, Anderson Silva; Rondina, Gustavo Garcia; Piotrowski, Maurício Jeomar; Tereshchuk, Polina; Silva, Juarez Lopes Ferreira da
Source: Livro de resumos. Conference titles: Workshop Pós Doutorado IQSC. Unidade: IQSC
Assunto: ELETROQUÍMICA
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ABNT
CHAVES, Anderson Silva et al. Structural and eletronic properties evolution of sub-nanometer sized transition-metal clusters with inclusion of charge effetcs. 2015, Anais.. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo, 2015. Disponível em: https://repositorio.usp.br/directbitstream/11032a9f-b9e6-4af5-ad2b-b43fc694e2a8/P15649.pdf. Acesso em: 24 maio 2024.
APA
Chaves, A. S., Rondina, G. G., Piotrowski, M. J., Tereshchuk, P., & Silva, J. L. F. da. (2015). Structural and eletronic properties evolution of sub-nanometer sized transition-metal clusters with inclusion of charge effetcs. In Livro de resumos. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/11032a9f-b9e6-4af5-ad2b-b43fc694e2a8/P15649.pdf
NLM
Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. Structural and eletronic properties evolution of sub-nanometer sized transition-metal clusters with inclusion of charge effetcs [Internet]. Livro de resumos. 2015 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/11032a9f-b9e6-4af5-ad2b-b43fc694e2a8/P15649.pdf
Vancouver
Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. Structural and eletronic properties evolution of sub-nanometer sized transition-metal clusters with inclusion of charge effetcs [Internet]. Livro de resumos. 2015 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/11032a9f-b9e6-4af5-ad2b-b43fc694e2a8/P15649.pdf
Artigo de periodico
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 (2015)
Chaves, Anderson Silva; Piotrowski, Maurício Jeomar; Guedes Sobrinho, Diego; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CHAVES, Anderson Silva et al. 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. Journal of Physical Chemistry A, v. 119, n. 47, p. 11565-11573, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b08330. Acesso em: 24 maio 2024.
APA
Chaves, A. S., Piotrowski, M. J., Guedes Sobrinho, D., & Silva, J. L. F. da. (2015). 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. Journal of Physical Chemistry A, 119( 47), 11565-11573. doi:10.1021/acs.jpca.5b08330
NLM
Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330
Vancouver
Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330
Artigo de periodico
Structural formation of binary PtCu clusters: a density functional theory investigation (2015)
Chaves, Anderson Silva; Rondina, Gustavo Garcia; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Computational Materials Science. Unidade: IQSC
Assunto: QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CHAVES, Anderson Silva et al. Structural formation of binary PtCu clusters: a density functional theory investigation. Computational Materials Science, v. 98, p. 278-286, 2015Tradução . . Disponível em: https://doi.org/10.1016/j.commatsci.2014.11.022. Acesso em: 24 maio 2024.
APA
Chaves, A. S., Rondina, G. G., Piotrowski, M. J., & Silva, J. L. F. da. (2015). Structural formation of binary PtCu clusters: a density functional theory investigation. Computational Materials Science, 98, 278-286. doi:10.1016/j.commatsci.2014.11.022
NLM
Chaves AS, Rondina GG, Piotrowski MJ, Silva JLF da. Structural formation of binary PtCu clusters: a density functional theory investigation [Internet]. Computational Materials Science. 2015 ; 98 278-286.[citado 2024 maio 24 ] Available from: https://doi.org/10.1016/j.commatsci.2014.11.022
Vancouver
Chaves AS, Rondina GG, Piotrowski MJ, Silva JLF da. Structural formation of binary PtCu clusters: a density functional theory investigation [Internet]. Computational Materials Science. 2015 ; 98 278-286.[citado 2024 maio 24 ] Available from: https://doi.org/10.1016/j.commatsci.2014.11.022
Artigo de periodico
Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations (2015)
Tereshchuk, Polina; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: RSC Advances. Unidade: IQSC
Assunto: QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TERESHCHUK, Polina e PIOTROWSKI, Maurício Jeomar e SILVA, Juarez Lopes Ferreira da. Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations. RSC Advances, v. 5, n. 1, p. 521-528, 2015Tradução . . Disponível em: https://doi.org/10.1039/c4ra10322j. Acesso em: 24 maio 2024.
APA
Tereshchuk, P., Piotrowski, M. J., & Silva, J. L. F. da. (2015). Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations. RSC Advances, 5( 1), 521-528. doi:10.1039/c4ra10322j
NLM
Tereshchuk P, Piotrowski MJ, Silva JLF da. Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations [Internet]. RSC Advances. 2015 ; 5( 1): 521-528.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/c4ra10322j
Vancouver
Tereshchuk P, Piotrowski MJ, Silva JLF da. Atomic structure of the La/Pt(111) and Ce/Pt(111) surfaces revealed by DFT+U calculations [Internet]. RSC Advances. 2015 ; 5( 1): 521-528.[citado 2024 maio 24 ] Available from: https://doi.org/10.1039/c4ra10322j
Artigo de periodico
Theoretical investigation of small transition-metal clusters supported on the CeO2(111) surface (2014)
Piotrowski, Maurício Jeomar; Tereshchuk, Polina; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry C. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PIOTROWSKI, Maurício Jeomar e TERESHCHUK, Polina e SILVA, Juarez Lopes Ferreira da. Theoretical investigation of small transition-metal clusters supported on the CeO2(111) surface. Journal of Physical Chemistry C, v. 118, n. 34, p. 21438-21446, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp505216y. Acesso em: 24 maio 2024.
APA
Piotrowski, M. J., Tereshchuk, P., & Silva, J. L. F. da. (2014). Theoretical investigation of small transition-metal clusters supported on the CeO2(111) surface. Journal of Physical Chemistry C, 118( 34), 21438-21446. doi:10.1021/jp505216y
NLM
Piotrowski MJ, Tereshchuk P, Silva JLF da. Theoretical investigation of small transition-metal clusters supported on the CeO2(111) surface [Internet]. Journal of Physical Chemistry C. 2014 ; 118( 34): 21438-21446.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/jp505216y
Vancouver
Piotrowski MJ, Tereshchuk P, Silva JLF da. Theoretical investigation of small transition-metal clusters supported on the CeO2(111) surface [Internet]. Journal of Physical Chemistry C. 2014 ; 118( 34): 21438-21446.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/jp505216y
Artigo de periodico
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation (2014)
Chaves, Anderson Silva; Rondina, Gustavo Garcia; Piotrowski, Maurício Jeomar; Tereshchuk, Polina; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CHAVES, Anderson Silva et al. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, v. 118, n. 45, p. 10813-10821, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp508220h. Acesso em: 24 maio 2024.
APA
Chaves, A. S., Rondina, G. G., Piotrowski, M. J., Tereshchuk, P., & Silva, J. L. F. da. (2014). The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, 118( 45), 10813-10821. doi:10.1021/jp508220h
NLM
Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/jp508220h
Vancouver
Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 maio 24 ] Available from: https://doi.org/10.1021/jp508220h
Trabalho de evento-resumo
Challegens in the study of transition-metal nanoclusters (2014)
Guedes Sobrinho, Diego; Ungureanu, Crina Georgeta; Chaves, Anderson Silva; Tereshchuk, Polina; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Program Book. Conference titles: Brazilian MRS Meeting. Unidade: IQSC
Assunto: NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GUEDES SOBRINHO, Diego et al. Challegens in the study of transition-metal nanoclusters. 2014, Anais.. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat, 2014. Disponível em: https://repositorio.usp.br/directbitstream/a5a198af-eb7b-48ee-a112-1b6f1f5708a4/P15212.pdf. Acesso em: 24 maio 2024.
APA
Guedes Sobrinho, D., Ungureanu, C. G., Chaves, A. S., Tereshchuk, P., Piotrowski, M. J., & Silva, J. L. F. da. (2014). Challegens in the study of transition-metal nanoclusters. In Program Book. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat. Recuperado de https://repositorio.usp.br/directbitstream/a5a198af-eb7b-48ee-a112-1b6f1f5708a4/P15212.pdf
NLM
Guedes Sobrinho D, Ungureanu CG, Chaves AS, Tereshchuk P, Piotrowski MJ, Silva JLF da. Challegens in the study of transition-metal nanoclusters [Internet]. Program Book. 2014 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/a5a198af-eb7b-48ee-a112-1b6f1f5708a4/P15212.pdf
Vancouver
Guedes Sobrinho D, Ungureanu CG, Chaves AS, Tereshchuk P, Piotrowski MJ, Silva JLF da. Challegens in the study of transition-metal nanoclusters [Internet]. Program Book. 2014 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/a5a198af-eb7b-48ee-a112-1b6f1f5708a4/P15212.pdf
Trabalho de evento-resumo
Challegens in the study of transition-metal nanoclusters (2014)
Guedes Sobrinho, Diego; Ungureanu, Crina Georgeta; Chaves, Anderson Silva; Tereshchuk, Polina; Piotrowski, Maurício Jeomar; Silva, Juarez Lopes Ferreira da
Source: Program Book. Conference titles: Brazilian MRS Meeting. Unidade: IQSC
Assunto: NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GUEDES SOBRINHO, Diego et al. Challegens in the study of transition-metal nanoclusters. 2014, Anais.. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat, 2014. Disponível em: https://repositorio.usp.br/directbitstream/80707854-b60f-4db6-9aa7-c6ff555fd27a/P15230.pdf. Acesso em: 24 maio 2024.
APA
Guedes Sobrinho, D., Ungureanu, C. G., Chaves, A. S., Tereshchuk, P., Piotrowski, M. J., & Silva, J. L. F. da. (2014). Challegens in the study of transition-metal nanoclusters. In Program Book. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat. Recuperado de https://repositorio.usp.br/directbitstream/80707854-b60f-4db6-9aa7-c6ff555fd27a/P15230.pdf
NLM
Guedes Sobrinho D, Ungureanu CG, Chaves AS, Tereshchuk P, Piotrowski MJ, Silva JLF da. Challegens in the study of transition-metal nanoclusters [Internet]. Program Book. 2014 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/80707854-b60f-4db6-9aa7-c6ff555fd27a/P15230.pdf
Vancouver
Guedes Sobrinho D, Ungureanu CG, Chaves AS, Tereshchuk P, Piotrowski MJ, Silva JLF da. Challegens in the study of transition-metal nanoclusters [Internet]. Program Book. 2014 ;[citado 2024 maio 24 ] Available from: https://repositorio.usp.br/directbitstream/80707854-b60f-4db6-9aa7-c6ff555fd27a/P15230.pdf

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