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  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subjects: CATALISADORES, PRATA

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      B. NETO, Marionir M. C. et al. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction. The Journal of Chemical Physics, v. 160, p. 094706, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0192055. Acesso em: 08 out. 2025.
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      B. Neto, M. M. C., Verga, L. G., Silva, J. L. F. da, & Galvão, B. R. L. (2024). Computational screening of silver-based single-atom alloys catalysts for CO2 reduction. The Journal of Chemical Physics, 160, 094706. doi:10.1063/5.0192055
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      B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction [Internet]. The Journal of Chemical Physics. 2024 ;160 094706.[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/5.0192055
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      B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction [Internet]. The Journal of Chemical Physics. 2024 ;160 094706.[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/5.0192055
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ENERGIA, ELETRODO, ETANOL, DIÓXIDO DE CARBONO, COBRE

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      RESTREPO, Vivianne Karina Ocampo e VERGA, Lucas Garcia e SILVA, Juarez L. F. Da. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, v. 25, n. 48, p. 32931-32938, 2023Tradução . . Disponível em: https://doi.org/10.1039/D3CP03315E. Acesso em: 08 out. 2025.
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      Restrepo, V. K. O., Verga, L. G., & Silva, J. L. F. D. (2023). Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, 25( 48), 32931-32938. doi:10.1039/D3CP03315E
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      Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP03315E
    • Vancouver

      Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP03315E
  • Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC

    Subjects: AQUECIMENTO GLOBAL, COMBUSTÍVEIS

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      FONSECA, Henrique A. B e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab initio Study of Catalytic Properties of 2D CuSx Nanolayer, with x = 0.5, 1.0, and 1.5, in CO2 Reduction. 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/48_1678740231.pdf. Acesso em: 08 out. 2025.
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      Fonseca, H. A. B., Verga, L. G., & Silva, J. L. F. da. (2023). Ab initio Study of Catalytic Properties of 2D CuSx Nanolayer, with x = 0.5, 1.0, and 1.5, in CO2 Reduction. 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/48_1678740231.pdf
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      Fonseca HAB, Verga LG, Silva JLF da. Ab initio Study of Catalytic Properties of 2D CuSx Nanolayer, with x = 0.5, 1.0, and 1.5, in CO2 Reduction [Internet]. Anais. 2023 ;[citado 2025 out. 08 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/48_1678740231.pdf
    • Vancouver

      Fonseca HAB, Verga LG, Silva JLF da. Ab initio Study of Catalytic Properties of 2D CuSx Nanolayer, with x = 0.5, 1.0, and 1.5, in CO2 Reduction [Internet]. Anais. 2023 ;[citado 2025 out. 08 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/48_1678740231.pdf
  • Source: Catalysis Science & Technology. Unidade: IQSC

    Subjects: COBRE, GÁS CARBÔNICO

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      VERGA, Lucas Garcia et al. The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction. Catalysis Science & Technology, v. 13, p. 6415, 2023Tradução . . Disponível em: https://doi.org/10.1039/d3cy00658a. Acesso em: 08 out. 2025.
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      Verga, L. G., Wang, Y., Chakraborty, T., Silva, J. L. F. da, & Mueller, T. (2023). The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction. Catalysis Science & Technology, 13, 6415. doi:10.1039/d3cy00658a
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      Verga LG, Wang Y, Chakraborty T, Silva JLF da, Mueller T. The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction [Internet]. Catalysis Science & Technology. 2023 ;13 6415.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d3cy00658a
    • Vancouver

      Verga LG, Wang Y, Chakraborty T, Silva JLF da, Mueller T. The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction [Internet]. Catalysis Science & Technology. 2023 ;13 6415.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d3cy00658a
  • Source: The Journal of Physical Chemistry Part C. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, GÁS CARBÔNICO

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      FONSECA, Henrique A. B. e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Theoretical tuning of the Cu/S ratio on two-dimensional CuSx materials for the CO2 electrochemical reduction reaction. The Journal of Physical Chemistry Part C, v. 127, p. 1932-7455, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c05682. Acesso em: 08 out. 2025.
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      Fonseca, H. A. B., Verga, L. G., & Silva, J. L. F. da. (2023). Theoretical tuning of the Cu/S ratio on two-dimensional CuSx materials for the CO2 electrochemical reduction reaction. The Journal of Physical Chemistry Part C, 127, 1932-7455. doi:10.1021/acs.jpcc.3c05682
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      Fonseca HAB, Verga LG, Silva JLF da. Theoretical tuning of the Cu/S ratio on two-dimensional CuSx materials for the CO2 electrochemical reduction reaction [Internet]. The Journal of Physical Chemistry Part C. 2023 ;127 1932-7455.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.3c05682
    • Vancouver

      Fonseca HAB, Verga LG, Silva JLF da. Theoretical tuning of the Cu/S ratio on two-dimensional CuSx materials for the CO2 electrochemical reduction reaction [Internet]. The Journal of Physical Chemistry Part C. 2023 ;127 1932-7455.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.3c05682
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: CATALISADORES, PRATA

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      B. NETO, Marionir M. C. et al. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical Chemistry Chemical Physics, v. 25, p. 4939–4949, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2cp04376a. Acesso em: 08 out. 2025.
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      B. Neto, M. M. C., Verga, L. G., Silva, J. L. F. da, & Galvão, B. R. L. (2023). The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical Chemistry Chemical Physics, 25, 4939–4949. doi:10.1039/d2cp04376a
    • NLM

      B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 4939–4949.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp04376a
    • Vancouver

      B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 4939–4949.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp04376a
  • Source: Journal of Electroanalytical Chemistry. Unidade: IQSC

    Subjects: RUTÊNIO, SÍNTESE INORGÂNICA, ELETROQUÍMICA

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      KHALID, Muhammad et al. Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media. Journal of Electroanalytical Chemistry, v. 929, p. 117116, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jelechem.2022.117116. Acesso em: 08 out. 2025.
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      Khalid, M., Fonseca, H. A. B., Verga, L. G., Hatshan, M. R., Silva, J. L. F. da, Varela, H., & Shahgaldi, S. (2023). Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media. Journal of Electroanalytical Chemistry, 929, 117116. doi:10.1016/j.jelechem.2022.117116
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      Khalid M, Fonseca HAB, Verga LG, Hatshan MR, Silva JLF da, Varela H, Shahgaldi S. Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media [Internet]. Journal of Electroanalytical Chemistry. 2023 ;929 117116.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.jelechem.2022.117116
    • Vancouver

      Khalid M, Fonseca HAB, Verga LG, Hatshan MR, Silva JLF da, Varela H, Shahgaldi S. Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media [Internet]. Journal of Electroanalytical Chemistry. 2023 ;929 117116.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.jelechem.2022.117116
  • Source: Applied Catalysis B: Environmental. Unidade: IQSC

    Subjects: CATÁLISE, METANOL, GÁS CARBÔNICO

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      RASTEIRO , Letícia Fernanda et al. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study. Applied Catalysis B: Environmental, v. 302, p. 120842, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.apcatb.2021.120842. Acesso em: 08 out. 2025.
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      Rasteiro , L. F., Sousa, R. A. D., Vieira, L. H., Ocampo-Restrepo, V. K., Verga, L. G., Assaf, J. M., et al. (2022). Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study. Applied Catalysis B: Environmental, 302, 120842. doi:10.1016/j.apcatb.2021.120842
    • NLM

      Rasteiro LF, Sousa RAD, Vieira LH, Ocampo-Restrepo VK, Verga LG, Assaf JM, Silva JLF da, Assaf EM. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study [Internet]. Applied Catalysis B: Environmental. 2022 ; 302 120842.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.apcatb.2021.120842
    • Vancouver

      Rasteiro LF, Sousa RAD, Vieira LH, Ocampo-Restrepo VK, Verga LG, Assaf JM, Silva JLF da, Assaf EM. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study [Internet]. Applied Catalysis B: Environmental. 2022 ; 302 120842.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.apcatb.2021.120842
  • Source: The Journal of Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, ADSORÇÃO, REDUÇÃO, GÁS CARBÔNICO

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      SOUSA, Rafael A. De et al. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, v. 156, p. 214106, 2022Tradução . . Disponível em: https://doi.org/10.1063/5.0091145. Acesso em: 08 out. 2025.
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      Sousa, R. A. D., Ocampo-Restrepo, V. K., Verga, L. G., & Silva, J. L. F. da. (2022). Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, 156, 214106. doi:10.1063/5.0091145
    • NLM

      Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/5.0091145
    • Vancouver

      Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2025 out. 08 ] Available from: https://doi.org/10.1063/5.0091145
  • Source: Catalysis Science & Technology. Unidades: IQSC, CENA

    Subjects: 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: 08 out. 2025.
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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 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
    • Vancouver

      Verga LG, Mendes P de CD, Restrepo V k, Silva JLF da. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction [Internet]. Catalysis Science & Technology. 2022 ; 12 869-879.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
  • Source: Journal of Catalysis. Unidade: IQSC

    Subjects: CATÁLISE, ETANOL

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      BRASIL, Henrique et al. Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio. Journal of Catalysis, p. 802-813, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.jcat.2021.08.050. Acesso em: 08 out. 2025.
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      Brasil, H., Bittencourt, A. F. B., Yokoo, K. C. E. S., Mendes, P. de C. D., Verga, L. G., Andriani, K. F., et al. (2021). Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio. Journal of Catalysis, 802-813. doi:10.1016/j.jcat.2021.08.050
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      Brasil H, Bittencourt AFB, Yokoo KCES, Mendes P de CD, Verga LG, Andriani KF, Landers R, Silva JLF da, Valença GP. Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio [Internet]. Journal of Catalysis. 2021 ; 802-813.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.jcat.2021.08.050
    • Vancouver

      Brasil H, Bittencourt AFB, Yokoo KCES, Mendes P de CD, Verga LG, Andriani KF, Landers R, Silva JLF da, Valença GP. Synthesis modification of hydroxyapatite surface for ethanol conversion: The role of the acidic/basic sites ratio [Internet]. Journal of Catalysis. 2021 ; 802-813.[citado 2025 out. 08 ] Available from: https://doi.org/10.1016/j.jcat.2021.08.050
  • Source: Catalysis Science & Technology. Unidade: IQSC

    Subjects: ELETROCATÁLISE, COBRE, REDUÇÃO, DIÓXIDO DE CARBONO

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      VERGA, Lucas Garcia et al. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces. Catalysis Science & Technology, v. 11, p. 2770-2781 Feb 2021, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CY02337J. Acesso em: 08 out. 2025.
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      Verga, L. G., Mendes, P. de C. D., Ocampo-Restrepo, V. K., & Silva, J. L. F. da. (2021). The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces. Catalysis Science & Technology, 11, 2770-2781 Feb 2021. doi:10.1039/D0CY02337J
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      Verga LG, Mendes P de CD, Ocampo-Restrepo VK, Silva JLF da. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces [Internet]. Catalysis Science & Technology. 2021 ; 11 2770-2781 Feb 2021.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0CY02337J
    • Vancouver

      Verga LG, Mendes P de CD, Ocampo-Restrepo VK, Silva JLF da. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces [Internet]. Catalysis Science & Technology. 2021 ; 11 2770-2781 Feb 2021.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0CY02337J
  • Source: The Journal of Physical Chemistry Part C. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, GÁS CARBÔNICO, IMPACTOS AMBIENTAIS, REDUÇÃO

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      OCAMPO-RESTREPO, Vivianne K. e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems. The Journal of Physical Chemistry Part C, v. 125, p. 26296–26306, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.1c05468. Acesso em: 08 out. 2025.
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      Ocampo-Restrepo, V. K., Verga, L. G., & Silva, J. L. F. da. (2021). Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems. The Journal of Physical Chemistry Part C, 125, 26296–26306. doi:10.1021/acs.jpcc.1c05468
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      Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems [Internet]. The Journal of Physical Chemistry Part C. 2021 ; 125 26296–26306.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.1c05468
    • Vancouver

      Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems [Internet]. The Journal of Physical Chemistry Part C. 2021 ; 125 26296–26306.[citado 2025 out. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.1c05468
  • Source: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, GÁS CARBÔNICO

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      FONSECA, Henrique A. B. e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, v. 125, n. 36, p. 7769–7777, 2021Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jpca.1c04436. Acesso em: 08 out. 2025.
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      Fonseca, H. A. B., Verga, L. G., & Silva, J. L. F. da. (2021). Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 125( 36), 7769–7777. doi:10.1021/acs.jpca.1c04436
    • NLM

      Fonseca HAB, Verga LG, Silva JLF da. Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes [Internet]. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2021 ; 125( 36): 7769–7777.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jpca.1c04436
    • Vancouver

      Fonseca HAB, Verga LG, Silva JLF da. Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes [Internet]. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2021 ; 125( 36): 7769–7777.[citado 2025 out. 08 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1021/acs.jpca.1c04436

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