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  • Source: The Journal of Physical Chemistry C. Unidade: IQSC

    Subjects: CATÁLISE, CATALISADORES

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      BATISTA, Krys E. A e SILVA, Juarez Lopes Ferreira da e PIOTROWSKI, Maurício J. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections. The Journal of Physical Chemistry C, v. 123, n. 12, p. 7431-7439, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b12219. Acesso em: 08 out. 2025.
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      Batista, K. E. A., Silva, J. L. F. da, & Piotrowski, M. J. (2019). Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections. The Journal of Physical Chemistry C, 123( 12), 7431-7439. doi:10.1021/acs.jpcc.8b12219
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      Batista KEA, Silva JLF da, Piotrowski MJ. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections [Internet]. The Journal of Physical Chemistry C. 2019 ;123( 12): 7431-7439.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.8b12219
    • Vancouver

      Batista KEA, Silva JLF da, Piotrowski MJ. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections [Internet]. The Journal of Physical Chemistry C. 2019 ;123( 12): 7431-7439.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.8b12219
  • Source: Livro de Resumos. Conference titles: Reunião Anual da Sociedade Brasileira de Química - SBQ. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, ATMOSFERA, DIÓXIDO DE CARBONO

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      FONSECA, Henrique Alves Bacco e SILVA, Augusto Cesar Huppes da e DA SILVA, Juarez Lopes Ferreira. Ab-initio Study of Catalytic Activity of Two-Dimensional Tungsten Dichalcogenides in CO2 Reduction. 2019, Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2019. Disponível em: https://repositorio.usp.br/directbitstream/2dd12a43-6f28-4b77-9a9d-5a9fd70631d2/P18313.pdf. Acesso em: 08 out. 2025.
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      Fonseca, H. A. B., Silva, A. C. H. da, & Da Silva, J. L. F. (2019). Ab-initio Study of Catalytic Activity of Two-Dimensional Tungsten Dichalcogenides in CO2 Reduction. In Livro de Resumos. São Paulo: Sociedade Brasileira de Química - SBQ. Recuperado de https://repositorio.usp.br/directbitstream/2dd12a43-6f28-4b77-9a9d-5a9fd70631d2/P18313.pdf
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      Fonseca HAB, Silva ACH da, Da Silva JLF. Ab-initio Study of Catalytic Activity of Two-Dimensional Tungsten Dichalcogenides in CO2 Reduction [Internet]. Livro de Resumos. 2019 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/2dd12a43-6f28-4b77-9a9d-5a9fd70631d2/P18313.pdf
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      Fonseca HAB, Silva ACH da, Da Silva JLF. Ab-initio Study of Catalytic Activity of Two-Dimensional Tungsten Dichalcogenides in CO2 Reduction [Internet]. Livro de Resumos. 2019 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/2dd12a43-6f28-4b77-9a9d-5a9fd70631d2/P18313.pdf
  • Source: Materials Today Chemistry. Unidades: IFSC, IQSC

    Subjects: HIDROXIAPATITA, FLUORESCÊNCIA, PRECIPITAÇÃO, NANOPARTÍCULAS

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      MACHADO, T. R. et al. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications. Materials Today Chemistry, v. 14, p. 100211-1-100211-12, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.mtchem.2019.100211. Acesso em: 08 out. 2025.
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      Machado, T. R., Leite, I. S., Inada, N. M., Siu Li, M., Silva, J. L. F. da, Andrés, J., et al. (2019). Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications. Materials Today Chemistry, 14, 100211-1-100211-12. doi:10.1016/j.mtchem.2019.100211
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      Machado TR, Leite IS, Inada NM, Siu Li M, Silva JLF da, Andrés J, Beltrán-Mir H, Cordoncillo E, Longo E. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications [Internet]. Materials Today Chemistry. 2019 ; 14 100211-1-100211-12.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.mtchem.2019.100211
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      Machado TR, Leite IS, Inada NM, Siu Li M, Silva JLF da, Andrés J, Beltrán-Mir H, Cordoncillo E, Longo E. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications [Internet]. Materials Today Chemistry. 2019 ; 14 100211-1-100211-12.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.mtchem.2019.100211
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Assunto: ÁLCOOL

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      MENDES, Paulo C D et al. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, v. 21, p. 8434-8444, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K. Acesso em: 08 out. 2025.
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      Mendes, P. C. D., Amaral, R. C., Gomes, J. F., & Silva, J. L. F. da. (2019). The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, 21, 8434-8444. doi:10.1039/C9CP00752K
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      Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
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      Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
  • Source: ACS Applied Materials and Interfaces. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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      CABRAL, Luís et al. Tuning the Magnetic Properties of FeCo Thin Films Through Magneto-Elastic Effect Induced by the Au Underlayer Thickness. ACS Applied Materials and Interfaces, v. 11, n. 1, p. 1529-1537, 2019Tradução . . Disponível em: https://doi.org/10.1021/acsami.8b14736. Acesso em: 08 out. 2025.
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      Cabral, L., Herrera Aragón, F. F., Villegas-Lelovsky, L., Lima, M. P., Macedo, W. A. A., & Silva, J. L. F. da. (2019). Tuning the Magnetic Properties of FeCo Thin Films Through Magneto-Elastic Effect Induced by the Au Underlayer Thickness. ACS Applied Materials and Interfaces, 11( 1), 1529-1537. doi:10.1021/acsami.8b14736
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      Cabral L, Herrera Aragón FF, Villegas-Lelovsky L, Lima MP, Macedo WAA, Silva JLF da. Tuning the Magnetic Properties of FeCo Thin Films Through Magneto-Elastic Effect Induced by the Au Underlayer Thickness [Internet]. ACS Applied Materials and Interfaces. 2019 ; 11( 1): 1529-1537.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acsami.8b14736
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      Cabral L, Herrera Aragón FF, Villegas-Lelovsky L, Lima MP, Macedo WAA, Silva JLF da. Tuning the Magnetic Properties of FeCo Thin Films Through Magneto-Elastic Effect Induced by the Au Underlayer Thickness [Internet]. ACS Applied Materials and Interfaces. 2019 ; 11( 1): 1529-1537.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acsami.8b14736
  • Source: Physical Review B. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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      LIMA, Matheus P et al. Defect-induced magnetism in II-VI quantum dots. Physical Review B, v. 99, n. Ja 2019, p. 14424-1 - 14424-7, 2019Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.99.014424. Acesso em: 08 out. 2025.
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      Lima, M. P., Cabral, L., Margapoti, E., Mahapatra, S., Silva, J. L. F. da, Hartmann, F., et al. (2019). Defect-induced magnetism in II-VI quantum dots. Physical Review B, 99( Ja 2019), 14424-1 - 14424-7. doi:10.1103/PhysRevB.99.014424
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      Lima MP, Cabral L, Margapoti E, Mahapatra S, Silva JLF da, Hartmann F, Hofling S, Marques GE, Lópes-Richard V. Defect-induced magnetism in II-VI quantum dots [Internet]. Physical Review B. 2019 ; 99( Ja 2019): 14424-1 - 14424-7.[citado 2025 out. 08 ] Available from: https://doi.org/10.1103/PhysRevB.99.014424
    • Vancouver

      Lima MP, Cabral L, Margapoti E, Mahapatra S, Silva JLF da, Hartmann F, Hofling S, Marques GE, Lópes-Richard V. Defect-induced magnetism in II-VI quantum dots [Internet]. Physical Review B. 2019 ; 99( Ja 2019): 14424-1 - 14424-7.[citado 2025 out. 08 ] Available from: https://doi.org/10.1103/PhysRevB.99.014424
  • Source: The Journal of Chemical Physics. Unidades: IQSC, IF

    Assunto: TERMODINÂMICA

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      CEZAR, Henrique Musseli e RONDINA, Gustavo Garcia e SILVA, Juarez Lopes Ferreira da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties. The Journal of Chemical Physics, v. 151, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5125689. Acesso em: 08 out. 2025.
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      Cezar, H. M., Rondina, G. G., & Silva, J. L. F. da. (2019). Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties. The Journal of Chemical Physics, 151. doi:10.1063/1.5125689
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      Cezar HM, Rondina GG, Silva JLF da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/1.5125689
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      Cezar HM, Rondina GG, Silva JLF da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/1.5125689
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subjects: CLUSTERS, MOLÉCULA

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      RESTREPO, Vivianne k e BESSE, Larissa Zibordi e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2. The Journal of Chemical Physics, v. 151, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5125769. Acesso em: 08 out. 2025.
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      Restrepo, V. k, Besse, L. Z., & Silva, J. L. F. da. (2019). Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2. The Journal of Chemical Physics, 151. doi:10.1063/1.5125769
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      Restrepo V k, Besse LZ, Silva JLF da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/1.5125769
    • Vancouver

      Restrepo V k, Besse LZ, Silva JLF da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/1.5125769
  • Source: ACS Applied Energy Materials. Unidades: IQSC, IFSC

    Subjects: SEMICONDUTORES, CALCOGÊNIOS

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      BESSE, Rafael e LIMA, Matheus P. e SILVA, Juarez Lopes Ferreira da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures. ACS Applied Energy Materials, v. 2, n. 12, p. 8491-8501, 2019Tradução . . Disponível em: https://doi.org/10.1021/acsaem.9b01433. Acesso em: 08 out. 2025.
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      Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures. ACS Applied Energy Materials, 2( 12), 8491-8501. doi:10.1021/acsaem.9b01433
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      Besse R, Lima MP, Silva JLF da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures [Internet]. ACS Applied Energy Materials. 2019 ; 2( 12): 8491-8501.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acsaem.9b01433
    • Vancouver

      Besse R, Lima MP, Silva JLF da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures [Internet]. ACS Applied Energy Materials. 2019 ; 2( 12): 8491-8501.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acsaem.9b01433
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS

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      FELÍCIO-SOUSA, Priscilla et al. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, v. 21, p. 26637-26646, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J. Acesso em: 08 out. 2025.
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      Felício-Sousa, P., Mucelini, J., Besse, L. Z., Andriani, K. F., Seminovski, Y., Prati, R. C., & Silva, J. L. F. da. (2019). Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, 21, 26637-26646. doi:10.1039/c9cp04762j
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      Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
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      Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
  • Source: Program. Conference titles: Brazilian MRS Meeting. Unidades: IQSC, IFSC

    Subjects: SEMICONDUTORES, DISPOSITIVOS ELETRÔNICOS

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      SILVEIRA, Julian Francisco Rama Vieira e BESSE, Rafael e SILVA, Juarez Lopes Ferreira da. Vertical heterostructures built from graphene and transition metal dichalcogenides for photovoltaic applications. 2019, Anais.. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat, 2019. Disponível em: https://repositorio.usp.br/directbitstream/b14eb7ec-9b3c-48e3-9465-e2a5701edb88/P18339.pdf. Acesso em: 08 out. 2025.
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      Silveira, J. F. R. V., Besse, R., & Silva, J. L. F. da. (2019). Vertical heterostructures built from graphene and transition metal dichalcogenides for photovoltaic applications. In Program. Rio de Janeiro: Sociedade Brasileira de Pesquisa em Materiais - SBPMat. Recuperado de https://repositorio.usp.br/directbitstream/b14eb7ec-9b3c-48e3-9465-e2a5701edb88/P18339.pdf
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      Silveira JFRV, Besse R, Silva JLF da. Vertical heterostructures built from graphene and transition metal dichalcogenides for photovoltaic applications [Internet]. Program. 2019 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/b14eb7ec-9b3c-48e3-9465-e2a5701edb88/P18339.pdf
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      Silveira JFRV, Besse R, Silva JLF da. Vertical heterostructures built from graphene and transition metal dichalcogenides for photovoltaic applications [Internet]. Program. 2019 ;[citado 2025 out. 08 ] Available from: https://repositorio.usp.br/directbitstream/b14eb7ec-9b3c-48e3-9465-e2a5701edb88/P18339.pdf
  • Source: Computational Materials Science. Unidade: IQSC

    Assunto: SEMICONDUTORES

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      FREIRE, Rafael L. H et al. Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment. Computational Materials Science, v. 170, p. 109160, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.commatsci.2019.109160. Acesso em: 08 out. 2025.
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      Freire, R. L. H., Masteghin, M. G., Miranda, C. R., Silva, J. L. F. da, & Orlandi, M. O. (2019). Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment. Computational Materials Science, 170, 109160. doi:10.1016/j.commatsci.2019.109160
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      Freire RLH, Masteghin MG, Miranda CR, Silva JLF da, Orlandi MO. Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment [Internet]. Computational Materials Science. 2019 ; 170 109160.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.commatsci.2019.109160
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      Freire RLH, Masteghin MG, Miranda CR, Silva JLF da, Orlandi MO. Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment [Internet]. Computational Materials Science. 2019 ; 170 109160.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.commatsci.2019.109160
  • Source: Physical Chemistry Chemical Physics. Unidades: IQSC, IFSC

    Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS

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      SILVA, Augusto Cesar Huppes da et al. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, v. 21, p. 23076-23084, 2019Tradução . . Disponível em: https://doi.org/10.1039/C9CP03698A. Acesso em: 08 out. 2025.
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      Silva, A. C. H. da, Caturello, N. A. M. S., Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, 21, 23076-23084. doi:10.1039/C9CP03698A
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      Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/C9CP03698A
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      Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/C9CP03698A
  • Source: Abstract book. Conference titles: Materials Research Society Fall Meeting and Exhibit. Unidades: IQSC, IFSC

    Subjects: METAIS, CÉLULAS SOLARES

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      BESSE, Rafael e LIMA, Matheus P. e SILVA, Juarez Lopes Ferreira da. Density functional exploration of two-dimensional transition metal dichalcogenides from Fe-, Co-, Ni- and Cu-Groups. 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: 08 out. 2025.
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      Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). Density functional exploration of two-dimensional transition metal dichalcogenides from Fe-, Co-, Ni- and Cu-Groups. 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
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      Besse R, Lima MP, Silva JLF da. Density functional exploration of two-dimensional transition metal dichalcogenides from Fe-, Co-, Ni- and Cu-Groups [Internet]. Abstract book. 2019 ;[citado 2025 out. 08 ] Available from: https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4
    • Vancouver

      Besse R, Lima MP, Silva JLF da. Density functional exploration of two-dimensional transition metal dichalcogenides from Fe-, Co-, Ni- and Cu-Groups [Internet]. Abstract book. 2019 ;[citado 2025 out. 08 ] Available from: https://www.mrs.org/docs/default-source/meetings-events/fall-meetings/2019/abstract-book.pdf?sfvrsn=be3a250d_4

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