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Artigo de periodico
Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy (2024)
Regis, Natan M.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Source: Materials Today Communications. Unidade: IQSC
Subjects: MATERIAIS, SENSOR
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ABNT
REGIS, Natan M. e SILVA, Juarez Lopes Ferreira da e LIMA, Matheus P. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy. Materials Today Communications, v. 38, p. 107710, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.mtcomm.2023.107710. Acesso em: 05 jul. 2024.
APA
Regis, N. M., Silva, J. L. F. da, & Lima, M. P. (2024). Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy. Materials Today Communications, 38, 107710. doi:10.1016/j.mtcomm.2023.107710
NLM
Regis NM, Silva JLF da, Lima MP. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy [Internet]. Materials Today Communications. 2024 ;38 107710.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.mtcomm.2023.107710
Vancouver
Regis NM, Silva JLF da, Lima MP. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy [Internet]. Materials Today Communications. 2024 ;38 107710.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.mtcomm.2023.107710
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.
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Subjects: 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: 05 jul. 2024.
APA
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 jul. 05 ] 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 jul. 05 ] Available from: https://doi.org/10.1039/D4CP00672K
Artigo de periodico
Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation (2024)
Mocelim, Maurício ; Santos, Mylena N ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATÁLISE, CATALISADORES, PROCESSOS QUÍMICOS, NANOPARTÍCULAS
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ABNT
MOCELIM, Maurício et al. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation. The Journal of Chemical Physics, v. 160, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0196840. Acesso em: 05 jul. 2024.
APA
Mocelim, M., Santos, M. N., Bittencourt, A. F. B., Lourenço, T. da C., & Silva, J. L. F. da. (2024). Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation. The Journal of Chemical Physics, 160. doi:10.1063/5.0196840
NLM
Mocelim M, Santos MN, Bittencourt AFB, Lourenço T da C, Silva JLF da. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation [Internet]. The Journal of Chemical Physics. 2024 ; 160[citado 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0196840
Vancouver
Mocelim M, Santos MN, Bittencourt AFB, Lourenço T da C, Silva JLF da. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation [Internet]. The Journal of Chemical Physics. 2024 ; 160[citado 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0196840
Artigo de periodico
On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent (2024)
Fiates, Juliane ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Dias, Luis G; Silva, Juarez Lopes Ferreira da
Source: Journal of Molecular Liquids. Unidades: FFCLRP, IQSC
Subjects: SOLVENTE, ELETROQUÍMICA
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ABNT
FIATES, Juliane et al. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, v. 395, p. 123930, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.123930. Acesso em: 05 jul. 2024.
APA
Fiates, J., Bittencourt, A. F. B., Lourenço, T. da C., Dias, L. G., & Silva, J. L. F. da. (2024). On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, 395, 123930. doi:10.1016/j.molliq.2023.123930
NLM
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Vancouver
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Artigo de periodico
Computational screening of silver-based single-atom alloys catalysts for CO2 reduction (2024)
B. Neto, Marionir M. C.; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATALISADORES, PRATA
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ABNT
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: 05 jul. 2024.
APA
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
NLM
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 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0192055
Vancouver
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 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0192055
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
Source: Journal of Molecular Liquids. Unidades: IQSC, FFCLRP, FCFRP
Assunto: ELETRÓLITOS
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ABNT
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: 05 jul. 2024.
APA
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
NLM
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 jul. 05 ] 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 jul. 05 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919
Artigo de periodico
Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys (2023)
Santos, Ramiro M. dos; Cruz, Iván Ornelas; Dias, Alexandre Cavalheiro ; Lima, Matheus P.; Silva, Juarez Lopes Ferreira da
Source: ACS Applied Energy Materials. Unidade: IQSC
Subjects: ESTABILIDADE ESTRUTURAL, QUÍMICA TEÓRICA
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ABNT
SANTOS, Ramiro M. dos et al. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys. ACS Applied Energy Materials, v. 6, p. 5259-5273, 2023Tradução . . Disponível em: https://doi.org/10.1021/acsaem.3c00186. Acesso em: 05 jul. 2024.
APA
Santos, R. M. dos, Cruz, I. O., Dias, A. C., Lima, M. P., & Silva, J. L. F. da. (2023). Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys. ACS Applied Energy Materials, 6, 5259-5273. doi:10.1021/acsaem.3c00186
NLM
Santos RM dos, Cruz IO, Dias AC, Lima MP, Silva JLF da. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys [Internet]. ACS Applied Energy Materials. 2023 ;6 5259-5273.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acsaem.3c00186
Vancouver
Santos RM dos, Cruz IO, Dias AC, Lima MP, Silva JLF da. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys [Internet]. ACS Applied Energy Materials. 2023 ;6 5259-5273.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acsaem.3c00186
Artigo de periodico
Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites (2023)
Ribeiro, Israel C.; MORAES, PEDRO IVO RODRIGUES; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: CONDUTIVIDADE ELÉTRICA, ÍONS
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ABNT
RIBEIRO, Israel C. et al. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, v. 127, n. 28, p. 13667–13677, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c01894. Acesso em: 05 jul. 2024.
APA
Ribeiro, I. C., MORAES, P. E. D. R. O. I. V. O. R. O. D. R. I. G. U. E. S., Bittencourt, A. F. B., & Silva, J. L. F. da. (2023). Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, 127( 28), 13667–13677. doi:10.1021/acs.jpcc.3c01894
NLM
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Vancouver
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Artigo de periodico
Underlying mechanisms of gold nanoalloys stabilization (2023)
Pena, Lucas B.; Silva, Lucas R. da; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: Thr Journal of Chemical Physics. Unidade: IQSC
Subjects: NANOPARTÍCULAS, OURO
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ABNT
PENA, Lucas B. et al. Underlying mechanisms of gold nanoalloys stabilization. Thr Journal of Chemical Physics, v. 159, p. 244310, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0180906. Acesso em: 05 jul. 2024.
APA
Pena, L. B., Silva, L. R. da, Silva, J. L. F. da, & Galvão, B. R. L. (2023). Underlying mechanisms of gold nanoalloys stabilization. Thr Journal of Chemical Physics, 159, 244310. doi:10.1063/5.0180906
NLM
Pena LB, Silva LR da, Silva JLF da, Galvão BRL. Underlying mechanisms of gold nanoalloys stabilization [Internet]. Thr Journal of Chemical Physics. 2023 ;159 244310.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0180906
Vancouver
Pena LB, Silva LR da, Silva JLF da, Galvão BRL. Underlying mechanisms of gold nanoalloys stabilization [Internet]. Thr Journal of Chemical Physics. 2023 ;159 244310.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1063/5.0180906
Artigo de periodico
The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface (2023)
Torres, Israel S.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, QUÍMICA
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ABNT
TORRES, Israel S. e SILVA, Juarez Lopes Ferreira da e LIMA, Matheus P. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface. The Journal of Physical Chemistry Part C, p. 1713−1721, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c07332. Acesso em: 05 jul. 2024.
APA
Torres, I. S., Silva, J. L. F. da, & Lima, M. P. (2023). The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface. The Journal of Physical Chemistry Part C, 1713−1721. doi:10.1021/acs.jpcc.2c07332
NLM
Torres IS, Silva JLF da, Lima MP. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface [Internet]. The Journal of Physical Chemistry Part C. 2023 ;1713−1721.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.2c07332
Vancouver
Torres IS, Silva JLF da, Lima MP. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface [Internet]. The Journal of Physical Chemistry Part C. 2023 ;1713−1721.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.2c07332
Artigo de periodico
Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches (2023)
Souza, Taiane G.F.; Olusegun, Sunday J.; Galvão, Breno R.L.; Silva, Juarez Lopes Ferreira da ; Mohallem, Nelcy D.S.; Ciminelli, Virginia S.T.
Source: Journal of Molecular Liquids. Unidade: IQSC
Subjects: ANTIBIÓTICOS, ADSORÇÃO
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ABNT
SOUZA, Taiane G.F. et al. Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches. Journal of Molecular Liquids, v. 373, p. 121202, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.121202. Acesso em: 05 jul. 2024.
APA
Souza, T. G. F., Olusegun, S. J., Galvão, B. R. L., Silva, J. L. F. da, Mohallem, N. D. S., & Ciminelli, V. S. T. (2023). Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches. Journal of Molecular Liquids, 373, 121202. doi:10.1016/j.molliq.2023.121202
NLM
Souza TGF, Olusegun SJ, Galvão BRL, Silva JLF da, Mohallem NDS, Ciminelli VST. Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches [Internet]. Journal of Molecular Liquids. 2023 ;373 121202.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.molliq.2023.121202
Vancouver
Souza TGF, Olusegun SJ, Galvão BRL, Silva JLF da, Mohallem NDS, Ciminelli VST. Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches [Internet]. Journal of Molecular Liquids. 2023 ;373 121202.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.molliq.2023.121202
Artigo de periodico
Facile synthesis of Ru nanoclusters embedded in carbonaceous shells for hydrogen evolution reaction in alkaline and acidic media (2023)
Khalid, Muhammad ; Fonseca, Henrique A.B.; Verga, Lucas Garcia ; Hatshan, Mohammad Rafe; Silva, Juarez Lopes Ferreira da ; Varela, Hamilton ; Shahgaldi, Samaneh
Source: Journal of Electroanalytical Chemistry. Unidade: IQSC
Subjects: RUTÊNIO, SÍNTESE INORGÂNICA, ELETROQUÍMICA
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ABNT
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: 05 jul. 2024.
APA
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
NLM
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 2024 jul. 05 ] 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 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.jelechem.2022.117116
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
Source: Physical Review B. Unidade: IQSC
Subjects: SEMICONDUTORES, CRISTALOGRAFIA FÍSICA
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ABNT
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: 05 jul. 2024.
APA
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
NLM
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 jul. 05 ] 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 jul. 05 ] Available from: https://doi.org/10.1103/PhysRevB.108.085409
Artigo de periodico
Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster (2022)
Peraça, Carina S. T.; Andriani, Karla Furtado ; Piotrowski, Maurício J.; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: ADSORÇÃO, ENERGIA, MOLÉCULA, REAÇÕES ORGÂNICAS
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ABNT
PERAÇA, Carina S. T. et al. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster. The Journal of Physical Chemistry Part C, v. 126, p. 11937−11948, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c02038. Acesso em: 05 jul. 2024.
APA
Peraça, C. S. T., Andriani, K. F., Piotrowski, M. J., & Silva, J. L. F. da. (2022). Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster. The Journal of Physical Chemistry Part C, 126, 11937−11948. doi:10.1021/acs.jpcc.2c02038
NLM
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster [Internet]. The Journal of Physical Chemistry Part C. 2022 ; 126 11937−11948.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02038
Vancouver
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster [Internet]. The Journal of Physical Chemistry Part C. 2022 ; 126 11937−11948.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02038
Artigo de periodico
Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology (2022)
Lima, Matheus P.; Caturello, Naidel A. M. S. ; Silva, Juarez Lopes Ferreira da
Source: Applied Surface Science. Unidade: IQSC
Subjects: METAIS, QUÍMICA TEÓRICA, OURO
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ABNT
LIMA, Matheus P. e CATURELLO, Naidel A. M. S. e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology. Applied Surface Science, v. 604, p. 154413, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.apsusc.2022.154413. Acesso em: 05 jul. 2024.
APA
Lima, M. P., Caturello, N. A. M. S., & Silva, J. L. F. da. (2022). Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology. Applied Surface Science, 604, 154413. doi:10.1016/j.apsusc.2022.154413
NLM
Lima MP, Caturello NAMS, Silva JLF da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology [Internet]. Applied Surface Science. 2022 ;604 154413.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154413
Vancouver
Lima MP, Caturello NAMS, Silva JLF da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology [Internet]. Applied Surface Science. 2022 ;604 154413.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154413
Artigo de periodico
Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt (2022)
Scalon, Lucas; Szostak, Rodrigo; Araújo, Francineide L.; Adriani, Karla F.; Silveira, Julian Francisco Rama Vieira ; Oliveira, Willian X. C. ; Silva, Juarez Lopes Ferreira da ; Oliveira, Caio C.; Nogueira, Ana Flávia
Source: Journal of the American Chemical Society. Unidade: IQSC
Assunto: CÉLULAS SOLARES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SCALON, Lucas et al. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt. Journal of the American Chemical Society, v. 6, p. 1306-1312, 2022Tradução . . Disponível em: https://doi.org/10.1021/jacsau.2c00151. Acesso em: 05 jul. 2024.
APA
Scalon, L., Szostak, R., Araújo, F. L., Adriani, K. F., Silveira, J. F. R. V., Oliveira, W. X. C., et al. (2022). Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt. Journal of the American Chemical Society, 6, 1306-1312. doi:10.1021/jacsau.2c00151
NLM
Scalon L, Szostak R, Araújo FL, Adriani KF, Silveira JFRV, Oliveira WXC, Silva JLF da, Oliveira CC, Nogueira AF. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt [Internet]. Journal of the American Chemical Society. 2022 ; 6 1306-1312.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/jacsau.2c00151
Vancouver
Scalon L, Szostak R, Araújo FL, Adriani KF, Silveira JFRV, Oliveira WXC, Silva JLF da, Oliveira CC, Nogueira AF. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt [Internet]. Journal of the American Chemical Society. 2022 ; 6 1306-1312.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/jacsau.2c00151
Trabalho de evento
The impact of low-cost molecular geometry optimization in property prediction via graph neural network (2022)
Pinheiro, Gabriel A ; Calderan, Felipe V ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Book of Abstracts. Conference titles: IEEE International Conference on Machine Learning and Applications (ICMLA). Unidade: IQSC
Subjects: ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), REDES NEURAIS, ALGORITMOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PINHEIRO, Gabriel A et al. The impact of low-cost molecular geometry optimization in property prediction via graph neural network. 2022, Anais.. Nassau: Instituto de Química de São Carlos, Universidade de São Paulo, 2022. p. 603-608. Disponível em: https://doi.org/10.1109/ICMLA55696.2022.00092. Acesso em: 05 jul. 2024.
APA
Pinheiro, G. A., Calderan, F. V., Silva, J. L. F. da, & Quiles, M. G. (2022). The impact of low-cost molecular geometry optimization in property prediction via graph neural network. In Book of Abstracts (p. 603-608). Nassau: Instituto de Química de São Carlos, Universidade de São Paulo. doi:10.1109/ICMLA55696.2022.00092
NLM
Pinheiro GA, Calderan FV, Silva JLF da, Quiles MG. The impact of low-cost molecular geometry optimization in property prediction via graph neural network [Internet]. Book of Abstracts. 2022 ; 603-608.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1109/ICMLA55696.2022.00092
Vancouver
Pinheiro GA, Calderan FV, Silva JLF da, Quiles MG. The impact of low-cost molecular geometry optimization in property prediction via graph neural network [Internet]. Book of Abstracts. 2022 ; 603-608.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1109/ICMLA55696.2022.00092
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
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CLUSTERS, ADSORÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 05 jul. 2024.
APA
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 jul. 05 ] 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 jul. 05 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Artigo de periodico
SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning (2022)
Pinheiro, Gabriel A.; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: MODELAGEM MOLECULAR, MOLÉCULA, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PINHEIRO, Gabriel A. e SILVA, Juarez Lopes Ferreira da e QUILES, Marcos Gonçalves. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, v. 62, n. 17, p. 3948–3960, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00521. Acesso em: 05 jul. 2024.
APA
Pinheiro, G. A., Silva, J. L. F. da, & Quiles, M. G. (2022). SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, 62( 17), 3948–3960. doi:10.1021/acs.jcim.2c00521
NLM
Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521
Vancouver
Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2024 jul. 05 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521
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
Source: Catalysis Science & Technology. Unidades: IQSC, CENA
Subjects: ELETROQUÍMICA, CATALISADORES, REDUÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 05 jul. 2024.
APA
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
NLM
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 jul. 05 ] 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 2024 jul. 05 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B

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