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Filtros : "Guedes Sobrinho, Diego" "Estados Unidos" "IQSC" Removidos: "ELETROQUÍMICA" "IFQSC-SQI" "PEREZ, JOELMA" "RAMOS, LUIZ ANTONIO" "Universidade de São Paulo" "IME" Limpar

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  • Trabalho de evento-resumo

    Evolution of physicochemical properties as function of size and design principles of transition-metal dichalcogenide nanoflakes: insights from Ab initio investigations (2019)

    Caturello, Naidel Antonio Moreira dos Santos ; Besse, Rafael ; Silva, Augusto Cesar Huppes da ; Guedes Sobrinho, Diego; Lima, Matheus P.; Silva, Juarez Lopes Ferreira da

    Fonte: Abstract book. Nome do evento: Materials Research Society Fall Meeting and Exhibit. Unidades: IQSC, IFSC

    Assuntos: METAIS, FÍSICO-QUÍMICA

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    • ABNT

      CATURELLO, Naidel Antonio Moreira dos Santos et al. Evolution of physicochemical properties as function of size and design principles of transition-metal dichalcogenide nanoflakes: insights from Ab initio investigations. 2019, Anais.. Warrendale: Materials Research Society - MRS, 2019. Disponível em: https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4. Acesso em: 11 jul. 2024.

    • APA

      Caturello, N. A. M. dos S., Besse, R., Silva, A. C. H. da, Guedes Sobrinho, D., Lima, M. P., & Silva, J. L. F. da. (2019). Evolution of physicochemical properties as function of size and design principles of transition-metal dichalcogenide nanoflakes: insights from Ab initio investigations. In Abstract book. Warrendale: Materials Research Society - MRS. Recuperado de https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4

    • NLM

      Caturello NAM dos S, Besse R, Silva ACH da, Guedes Sobrinho D, Lima MP, Silva JLF da. Evolution of physicochemical properties as function of size and design principles of transition-metal dichalcogenide nanoflakes: insights from Ab initio investigations [Internet]. Abstract book. 2019 ;[citado 2024 jul. 11 ] Available from: https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4

    • Vancouver

      Caturello NAM dos S, Besse R, Silva ACH da, Guedes Sobrinho D, Lima MP, Silva JLF da. Evolution of physicochemical properties as function of size and design principles of transition-metal dichalcogenide nanoflakes: insights from Ab initio investigations [Internet]. Abstract book. 2019 ;[citado 2024 jul. 11 ] Available from: https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4

  • Artigo de periodico

    (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature (2019)

    Guedes Sobrinho, Diego; Wang, Weiqi; Hamilton, Ian; Silva, Juarez Lopes Ferreira da ; Ghiringhelli, LucaM.

    Fonte: The Journal of Physical Chemistry Letters. Unidade: IQSC

    Assunto: QUÍMICA

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    • ABNT

      GUEDES SOBRINHO, Diego et al. (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature. The Journal of Physical Chemistry Letters, v. 10, n. 3, p. 685-692, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpclett.8b03397. Acesso em: 11 jul. 2024.

    • APA

      Guedes Sobrinho, D., Wang, W., Hamilton, I., Silva, J. L. F. da, & Ghiringhelli, L. M. (2019). (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature. The Journal of Physical Chemistry Letters, 10( 3), 685-692. doi:10.1021/acs.jpclett.8b03397

    • NLM

      Guedes Sobrinho D, Wang W, Hamilton I, Silva JLF da, Ghiringhelli LM. (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature [Internet]. The Journal of Physical Chemistry Letters. 2019 ;10( 3): 685-692.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpclett.8b03397

    • Vancouver

      Guedes Sobrinho D, Wang W, Hamilton I, Silva JLF da, Ghiringhelli LM. (Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature [Internet]. The Journal of Physical Chemistry Letters. 2019 ;10( 3): 685-692.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpclett.8b03397

  • Artigo de periodico

    Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory (2018)

    Besse, Rafael; Caturello, Naidel Antonio Moreira dos Santos; Bastos, Carlos M. O.; Guedes Sobrinho, Diego; Lima, Matheus P.; Sipahi, Guilherme Matos; Silva, Juarez Lopes Ferreira da

    Fonte: Journal of Physical Chemistry C. Unidades: IQSC, IFSC

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      BESSE, Rafael et al. Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory. Journal of Physical Chemistry C, v. 122, n. 35, p. 20483-20488, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b03254. Acesso em: 11 jul. 2024.

    • APA

      Besse, R., Caturello, N. A. M. dos S., Bastos, C. M. O., Guedes Sobrinho, D., Lima, M. P., Sipahi, G. M., & Silva, J. L. F. da. (2018). Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory. Journal of Physical Chemistry C, 122( 35), 20483-20488. doi:10.1021/acs.jpcc.8b03254

    • NLM

      Besse R, Caturello NAM dos S, Bastos CMO, Guedes Sobrinho D, Lima MP, Sipahi GM, Silva JLF da. Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 35): 20483-20488.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b03254

    • Vancouver

      Besse R, Caturello NAM dos S, Bastos CMO, Guedes Sobrinho D, Lima MP, Sipahi GM, Silva JLF da. Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 35): 20483-20488.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b03254

  • Artigo de periodico

    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 (2018)

    Zibordi-Besse, Larissa; Seminovski, Yohanna; Rosalino, Israel; Guedes Sobrinho, Diego; Silva, Juarez Lopes Ferreira da

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      ZIBORDI-BESSE, Larissa et al. 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. Journal of Physical Chemistry C, v. 122, p. 27702-27712, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b08299. Acesso em: 11 jul. 2024.

    • APA

      Zibordi-Besse, L., Seminovski, Y., Rosalino, I., Guedes Sobrinho, D., & Silva, J. L. F. da. (2018). 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. Journal of Physical Chemistry C, 122, 27702-27712. doi:10.1021/acs.jpcc.8b08299

    • NLM

      Zibordi-Besse L, Seminovski Y, Rosalino I, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry C. 2018 ; 122 27702-27712.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b08299

    • Vancouver

      Zibordi-Besse L, Seminovski Y, Rosalino I, Guedes Sobrinho D, Silva JLF da. 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 [Internet]. Journal of Physical Chemistry C. 2018 ; 122 27702-27712.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b08299

  • Artigo de periodico

    Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe (2018)

    Caturello, Naidel A. M. S; Besse, Rafael; Silva, Augusto C. H. da; Guedes Sobrinho, Diego; Lima, Matheus P; Silva, Juarez Lopes Ferreira da

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assuntos: MATERIAIS NANOESTRUTURADOS, ELEMENTOS DE TRANSIÇÃO

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    • ABNT

      CATURELLO, Naidel A. M. S et al. Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe. Journal of Physical Chemistry C, v. No 2018, p. 27059-27069, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b07127. Acesso em: 11 jul. 2024.

    • APA

      Caturello, N. A. M. S., Besse, R., Silva, A. C. H. da, Guedes Sobrinho, D., Lima, M. P., & Silva, J. L. F. da. (2018). Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe. Journal of Physical Chemistry C, No 2018, 27059-27069. doi:10.1021/acs.jpcc.8b07127

    • NLM

      Caturello NAMS, Besse R, Silva ACH da, Guedes Sobrinho D, Lima MP, Silva JLF da. Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe [Internet]. Journal of Physical Chemistry C. 2018 ; No 2018 27059-27069.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b07127

    • Vancouver

      Caturello NAMS, Besse R, Silva ACH da, Guedes Sobrinho D, Lima MP, Silva JLF da. Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe [Internet]. Journal of Physical Chemistry C. 2018 ; No 2018 27059-27069.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.8b07127

  • Artigo de periodico

    Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces (2018)

    Freire, Rafael Luiz Heleno; Guedes Sobrinho, Diego; Kiejna, Adam; Silva, Juarez Lopes Ferreira da

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assunto: ETANOL

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      FREIRE, Rafael Luiz Heleno et al. Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces. Journal of Physical Chemistry C, v. 122, n. 3, p. 1577-1588, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.7b09749. Acesso em: 11 jul. 2024.

    • APA

      Freire, R. L. H., Guedes Sobrinho, D., Kiejna, A., & Silva, J. L. F. da. (2018). Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces. Journal of Physical Chemistry C, 122( 3), 1577-1588. doi:10.1021/acs.jpcc.7b09749

    • NLM

      Freire RLH, Guedes Sobrinho D, Kiejna A, Silva JLF da. Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 3): 1577-1588.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.7b09749

    • Vancouver

      Freire RLH, Guedes Sobrinho D, Kiejna A, Silva JLF da. Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 3): 1577-1588.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.7b09749

  • Artigo de periodico

    Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys (2017)

    Guedes Sobrinho, Diego; Freire, Rafael L. H; Chaves, Anderson S; Silva, Juarez Lopes Ferreira da

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assunto: NANOPARTÍCULAS

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    • ABNT

      GUEDES SOBRINHO, Diego et al. Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys. Journal of Physical Chemistry C, v. 121, p. 27721-27732, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.7b09248. Acesso em: 11 jul. 2024.

    • APA

      Guedes Sobrinho, D., Freire, R. L. H., Chaves, A. S., & Silva, J. L. F. da. (2017). Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys. Journal of Physical Chemistry C, 121, 27721-27732. doi:10.1021/acs.jpcc.7b09248

    • NLM

      Guedes Sobrinho D, Freire RLH, Chaves AS, Silva JLF da. Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys [Internet]. Journal of Physical Chemistry C. 2017 ;121 27721-27732.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.7b09248

    • Vancouver

      Guedes Sobrinho D, Freire RLH, Chaves AS, Silva JLF da. Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys [Internet]. Journal of Physical Chemistry C. 2017 ;121 27721-27732.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.7b09248

  • 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

    Fonte: 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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.6b10404

  • 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

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assuntos: 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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.5b02242

  • 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

    Fonte: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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    • 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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330
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