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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.

    Fonte: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC

    Assuntos: FÍSICO-QUÍMICA, MINERAÇÃO DE DADOS, ELETRÓLISE, PALÁDIO, NÍQUEL

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      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: 16 out. 2024.

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1039/D4CP00672K

  • Artigo de periodico

    Polythiophene-decorated copper via polypyrrole intermediary passivation layer for enhanced electrocatalytic reduction of carbon dioxide (2024)

    Venkatkarthick, Radhakrishnan ; Lima, Fabio Henrique Barros de

    Fonte: Journal of Electroanalytical Chemistry. Unidade: IQSC

    Assuntos: ELETROCATÁLISE, COBRE, DIÓXIDO DE CARBONO

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      VENKATKARTHICK, Radhakrishnan e LIMA, Fabio Henrique Barros de. Polythiophene-decorated copper via polypyrrole intermediary passivation layer for enhanced electrocatalytic reduction of carbon dioxide. Journal of Electroanalytical Chemistry, v. 961, p. 118241, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.jelechem.2024.118241. Acesso em: 16 out. 2024.

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      Venkatkarthick, R., & Lima, F. H. B. de. (2024). Polythiophene-decorated copper via polypyrrole intermediary passivation layer for enhanced electrocatalytic reduction of carbon dioxide. Journal of Electroanalytical Chemistry, 961, 118241. doi:10.1016/j.jelechem.2024.118241

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      Venkatkarthick R, Lima FHB de. Polythiophene-decorated copper via polypyrrole intermediary passivation layer for enhanced electrocatalytic reduction of carbon dioxide [Internet]. Journal of Electroanalytical Chemistry. 2024 ; 961 118241.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.jelechem.2024.118241

    • Vancouver

      Venkatkarthick R, Lima FHB de. Polythiophene-decorated copper via polypyrrole intermediary passivation layer for enhanced electrocatalytic reduction of carbon dioxide [Internet]. Journal of Electroanalytical Chemistry. 2024 ; 961 118241.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.jelechem.2024.118241

  • Artigo de periodico

    Use of collagen and auricular cartilage in bioengineering: scaffolds for tissue regeneration (2024)

    Massimino, Lívia Contini ; Martins, Virginia da Conceição Amaro ; Vulcani, Valcinir Aloísio Scalla; Oliveira, Éverton Lucas de; Andreeta, Mariane Barsi; Bonagamba, Tito José ; Klingbeil, Maria Fátima Guarizo; Mathor, Monica Beatriz ; Plepis, Ana Maria de Guzzi

    Fonte: Cell and Tissue Banking. Unidades: IFSC, IQSC, BIOENGENHARIA

    Assuntos: BIOPOLÍMEROS, ELASTINA

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      MASSIMINO, Lívia Contini et al. Use of collagen and auricular cartilage in bioengineering: scaffolds for tissue regeneration. Cell and Tissue Banking, v. 25, p. 111-122, 2024Tradução . . Disponível em: https://doi.org/10.1007/s10561-020-09861-0. Acesso em: 16 out. 2024.

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      Massimino, L. C., Martins, V. da C. A., Vulcani, V. A. S., Oliveira, É. L. de, Andreeta, M. B., Bonagamba, T. J., et al. (2024). Use of collagen and auricular cartilage in bioengineering: scaffolds for tissue regeneration. Cell and Tissue Banking, 25, 111-122. doi:10.1007/s10561-020-09861-0

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      Massimino LC, Martins V da CA, Vulcani VAS, Oliveira ÉL de, Andreeta MB, Bonagamba TJ, Klingbeil MFG, Mathor MB, Plepis AM de G. Use of collagen and auricular cartilage in bioengineering: scaffolds for tissue regeneration [Internet]. Cell and Tissue Banking. 2024 ; 25 111-122.[citado 2024 out. 16 ] Available from: https://doi.org/10.1007/s10561-020-09861-0

    • Vancouver

      Massimino LC, Martins V da CA, Vulcani VAS, Oliveira ÉL de, Andreeta MB, Bonagamba TJ, Klingbeil MFG, Mathor MB, Plepis AM de G. Use of collagen and auricular cartilage in bioengineering: scaffolds for tissue regeneration [Internet]. Cell and Tissue Banking. 2024 ; 25 111-122.[citado 2024 out. 16 ] Available from: https://doi.org/10.1007/s10561-020-09861-0

  • 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

    Fonte: Journal of Molecular Liquids. Unidades: IQSC, FFCLRP, FCFRP

    Assunto: ELETRÓLITOS

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919

  • Artigo de periodico

    Neurofuzzy modelling on the influence of Pt–Sn catalyst properties in direct ethanol fuel cells performance: Fuzzy inference system generation and cell power density optimization (2023)

    Oliveira, Deborah S.B.L.; Colmati, Flavio; Gonzalez, Ernesto R.; Sousa Junior, Ruy de

    Fonte: International Journal of Hydrogen Energy. Unidade: IQSC

    Assuntos: CATALISADORES, ETANOL

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      OLIVEIRA, Deborah S.B.L. et al. Neurofuzzy modelling on the influence of Pt–Sn catalyst properties in direct ethanol fuel cells performance: Fuzzy inference system generation and cell power density optimization. International Journal of Hydrogen Energy, v. 48, n. 63, p. 24481-24491, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.ijhydene.2023.03.137. Acesso em: 16 out. 2024.

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      Oliveira, D. S. B. L., Colmati, F., Gonzalez, E. R., & Sousa Junior, R. de. (2023). Neurofuzzy modelling on the influence of Pt–Sn catalyst properties in direct ethanol fuel cells performance: Fuzzy inference system generation and cell power density optimization. International Journal of Hydrogen Energy, 48( 63), 24481-24491. doi:10.1016/j.ijhydene.2023.03.137

    • NLM

      Oliveira DSBL, Colmati F, Gonzalez ER, Sousa Junior R de. Neurofuzzy modelling on the influence of Pt–Sn catalyst properties in direct ethanol fuel cells performance: Fuzzy inference system generation and cell power density optimization [Internet]. International Journal of Hydrogen Energy. 2023 ;48( 63): 24481-24491.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.ijhydene.2023.03.137

    • Vancouver

      Oliveira DSBL, Colmati F, Gonzalez ER, Sousa Junior R de. Neurofuzzy modelling on the influence of Pt–Sn catalyst properties in direct ethanol fuel cells performance: Fuzzy inference system generation and cell power density optimization [Internet]. International Journal of Hydrogen Energy. 2023 ;48( 63): 24481-24491.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.ijhydene.2023.03.137

  • 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

    Fonte: Journal of Physical Chemistry C. Unidade: IQSC

    Assuntos: HIDROCARBONOS, ENERGIA, ÍONS

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      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: 16 out. 2024.

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653

  • Artigo de periodico

    Cooperative effect of Pt and Cu on CeO2 for the CO-PROX reaction under CO2eH2O feed stream (2023)

    Cruz, Aline Rodrigues Miranda; Vieira, Luiz H. ; Assaf, Elisabete Moreira ; Gomes, Janaina Fernandes ; Assaf, Jose Mansur

    Fonte: International Journal of Hydrogen Energy. Unidade: IQSC

    Assuntos: CATÁLISE, COBRE, CÉRIO, PLATINA

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      CRUZ, Aline Rodrigues Miranda et al. Cooperative effect of Pt and Cu on CeO2 for the CO-PROX reaction under CO2eH2O feed stream. International Journal of Hydrogen Energy, v. 48, n. 64, p. 24961-24975, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.ijhydene.2023.01.077. Acesso em: 16 out. 2024.

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      Cruz, A. R. M., Vieira, L. H., Assaf, E. M., Gomes, J. F., & Assaf, J. M. (2023). Cooperative effect of Pt and Cu on CeO2 for the CO-PROX reaction under CO2eH2O feed stream. International Journal of Hydrogen Energy, 48( 64), 24961-24975. doi:10.1016/j.ijhydene.2023.01.077

    • NLM

      Cruz ARM, Vieira LH, Assaf EM, Gomes JF, Assaf JM. Cooperative effect of Pt and Cu on CeO2 for the CO-PROX reaction under CO2eH2O feed stream [Internet]. International Journal of Hydrogen Energy. 2023 ; 48( 64): 24961-24975.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.ijhydene.2023.01.077

    • Vancouver

      Cruz ARM, Vieira LH, Assaf EM, Gomes JF, Assaf JM. Cooperative effect of Pt and Cu on CeO2 for the CO-PROX reaction under CO2eH2O feed stream [Internet]. International Journal of Hydrogen Energy. 2023 ; 48( 64): 24961-24975.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.ijhydene.2023.01.077

  • Artigo de periodico

    WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids (2023)

    Dias, Alexandre Cavalheiro ; Silveira, Julian Francisco Rama Vieira ; Qu, Fanyao

    Fonte: Computer Physics Communications. Unidade: IQSC

    Assunto: ÓPTICA

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      DIAS, Alexandre Cavalheiro e SILVEIRA, Julian Francisco Rama Vieira e QU, Fanyao. WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids. Computer Physics Communications, v. 286, p. 108636, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.cpc.2022.108636. Acesso em: 16 out. 2024.

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      Dias, A. C., Silveira, J. F. R. V., & Qu, F. (2023). WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids. Computer Physics Communications, 286, 108636. doi:10.1016/j.cpc.2022.108636

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      Dias AC, Silveira JFRV, Qu F. WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids [Internet]. Computer Physics Communications. 2023 ; 286 108636.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.cpc.2022.108636

    • Vancouver

      Dias AC, Silveira JFRV, Qu F. WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids [Internet]. Computer Physics Communications. 2023 ; 286 108636.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.cpc.2022.108636

  • Artigo de periodico

    Microkinetic Modeling of the Methanol Electro-oxidation Reaction on Platinum (2023)

    Salazar, Enrique Adalberto Paredes ; Cárdenas, Alfredo Calderón ; Varela, Hamilton

    Fonte: ACS Catalysis. Unidades: RUSP, IQSC

    Assuntos: ÁLCOOL, ELETRODO, PLATINA

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      SALAZAR, Enrique Adalberto Paredes e CÁRDENAS, Alfredo Calderón e VARELA, Hamilton. Microkinetic Modeling of the Methanol Electro-oxidation Reaction on Platinum. ACS Catalysis, v. 13, n. 14, p. 9366–9378, 2023Tradução . . Disponível em: https://doi.org/10.1021/acscatal.3c00838. Acesso em: 16 out. 2024.

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      Salazar, E. A. P., Cárdenas, A. C., & Varela, H. (2023). Microkinetic Modeling of the Methanol Electro-oxidation Reaction on Platinum. ACS Catalysis, 13( 14), 9366–9378. doi:10.1021/acscatal.3c00838

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      Salazar EAP, Cárdenas AC, Varela H. Microkinetic Modeling of the Methanol Electro-oxidation Reaction on Platinum [Internet]. ACS Catalysis. 2023 ; 13( 14): 9366–9378.[citado 2024 out. 16 ] Available from: https://doi.org/10.1021/acscatal.3c00838

    • Vancouver

      Salazar EAP, Cárdenas AC, Varela H. Microkinetic Modeling of the Methanol Electro-oxidation Reaction on Platinum [Internet]. ACS Catalysis. 2023 ; 13( 14): 9366–9378.[citado 2024 out. 16 ] Available from: https://doi.org/10.1021/acscatal.3c00838

  • Artigo de periodico

    Sensors for detection of production chemicals and oil in produced water (2023)

    Pasqualeti, Anielli Martini; Shimizu, Flavio Makoto; Oliveira, Luiza Pereira de; Oliveira, Ricardo Alexandrino Guimarães de; Carvalho, Rogerio Mesquita de; Fontes, Rosane Alves; Gobbi, Angelo Luiz; Lima, Renato Sousa

    Fonte: Trends in Analytical Chemistry. Unidade: IQSC

    Assuntos: SENSORES QUÍMICOS, PETRÓLEO

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      PASQUALETI, Anielli Martini et al. Sensors for detection of production chemicals and oil in produced water. Trends in Analytical Chemistry, v. 168, p. 117305, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.trac.2023.117305. Acesso em: 16 out. 2024.

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      Pasqualeti, A. M., Shimizu, F. M., Oliveira, L. P. de, Oliveira, R. A. G. de, Carvalho, R. M. de, Fontes, R. A., et al. (2023). Sensors for detection of production chemicals and oil in produced water. Trends in Analytical Chemistry, 168, 117305. doi:10.1016/j.trac.2023.117305

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      Pasqualeti AM, Shimizu FM, Oliveira LP de, Oliveira RAG de, Carvalho RM de, Fontes RA, Gobbi AL, Lima RS. Sensors for detection of production chemicals and oil in produced water [Internet]. Trends in Analytical Chemistry. 2023 ;168 117305.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.trac.2023.117305

    • Vancouver

      Pasqualeti AM, Shimizu FM, Oliveira LP de, Oliveira RAG de, Carvalho RM de, Fontes RA, Gobbi AL, Lima RS. Sensors for detection of production chemicals and oil in produced water [Internet]. Trends in Analytical Chemistry. 2023 ;168 117305.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.trac.2023.117305

  • 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

    Fonte: Computational Materials Science. Unidade: IQSC

    Assunto: TOPOLOGIA

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] 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

    Fonte: Physical Review B. Unidade: IQSC

    Assuntos: SEMICONDUTORES, CRISTALOGRAFIA FÍSICA

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] 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

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

    Assuntos: FÍSICO-QUÍMICA, METAIS, QUÍMICA TEÓRICA

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023

  • Artigo de periodico

    Electrochemical mass spectrometry study of the pyridine/pyridinium in the CO2 electroreduction reaction on copper electrodes (2022)

    Messias, Igor; Pinto, Maria R.; Roveda Junior, Antonio Carlos ; Queiroz, Adriana C.; Lima, Fabio Henrique Barros de ; Nagao, Raphael

    Fonte: Electrochimica Acta. Unidade: IQSC

    Assuntos: ESPECTROMETRIA DE MASSAS, ELETROCATÁLISE, ELETROQUÍMICA

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      MESSIAS, Igor et al. Electrochemical mass spectrometry study of the pyridine/pyridinium in the CO2 electroreduction reaction on copper electrodes. Electrochimica Acta, v. 436, p. 141445, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.electacta.2022.141445. Acesso em: 16 out. 2024.

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      Messias, I., Pinto, M. R., Roveda Junior, A. C., Queiroz, A. C., Lima, F. H. B. de, & Nagao, R. (2022). Electrochemical mass spectrometry study of the pyridine/pyridinium in the CO2 electroreduction reaction on copper electrodes. Electrochimica Acta, 436, 141445. doi:10.1016/j.electacta.2022.141445

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      Messias I, Pinto MR, Roveda Junior AC, Queiroz AC, Lima FHB de, Nagao R. Electrochemical mass spectrometry study of the pyridine/pyridinium in the CO2 electroreduction reaction on copper electrodes [Internet]. Electrochimica Acta. 2022 ;436 141445.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.electacta.2022.141445

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      Messias I, Pinto MR, Roveda Junior AC, Queiroz AC, Lima FHB de, Nagao R. Electrochemical mass spectrometry study of the pyridine/pyridinium in the CO2 electroreduction reaction on copper electrodes [Internet]. Electrochimica Acta. 2022 ;436 141445.[citado 2024 out. 16 ] Available from: https://doi.org/10.1016/j.electacta.2022.141445

  • 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

    Fonte: The Journal of Chemical Physics. Unidade: IQSC

    Assuntos: CLUSTERS, ADSORÇÃO

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      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: 16 out. 2024.

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      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 out. 16 ] 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 out. 16 ] 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

    Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC

    Assuntos: ENERGIA, MOLÉCULA

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] Available from: https://doi.org/10.1021/acs.jcim.1c01573

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      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 out. 16 ] 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

    Fonte: Physical Chemistry Chemical Physics. Unidade: IQSC

    Assuntos: ADSORÇÃO, MOLÉCULA, COMPUTAÇÃO APLICADA

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] 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

    Fonte: Catalysis Science & Technology. Unidades: IQSC, CENA

    Assuntos: ELETROQUÍMICA, CATALISADORES, REDUÇÃO

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B

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      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 out. 16 ] 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

    Fonte: Catalysis Science and Technology. Unidades: IQSC, IFSC

    Assuntos: METANO, CATALISADORES

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1039/d1cy01785c

  • 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

    Fonte: 2D Materials. Unidades: IQSC, IFSC

    Assuntos: FÍSICO-QUÍMICA, HIBRIDIZAÇÃO

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      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: 16 out. 2024.

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      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

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      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 out. 16 ] 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 out. 16 ] Available from: https://doi.org/10.1088/2053-1583/ac1902
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