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Artigo de periodico
Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters (2025)
Sousa, Priscilla Felício ; Andriani, Karla Furtado ; Quiles, Marcos Gonçalves ; Silva, Juarez Lopes Ferreira da
Source: ACS Omega. Unidade: IQSC
Subjects: ADSORÇÃO, ENERGIA
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ABNT
SOUSA, Priscilla Felício et al. Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters. ACS Omega, v. 10, p. 5006−5015, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.4c10718. Acesso em: 07 out. 2025.
APA
Sousa, P. F., Andriani, K. F., Quiles, M. G., & Silva, J. L. F. da. (2025). Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters. ACS Omega, 10, 5006−5015. doi:10.1021/acsomega.4c10718
NLM
Sousa PF, Andriani KF, Quiles MG, Silva JLF da. Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters [Internet]. ACS Omega. 2025 ;10 5006−5015.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c10718
Vancouver
Sousa PF, Andriani KF, Quiles MG, Silva JLF da. Effects of dopants on the structural, electronic, and energetic properties of (ZrO2)16 clusters [Internet]. ACS Omega. 2025 ;10 5006−5015.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c10718
Artigo de periodico
Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters (2025)
Bezerra, Raquel C ; Calderan, Felipe V ; Sousa, Priscilla Felício ; Peraça, Carina S. T ; Quiles, Marcos Gonçalves ; Silva, Juarez Lopes Ferreira da
Source: ACS Omega. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, CATÁLISE, ADSORÇÃO, MOLÉCULA
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ABNT
BEZERRA, Raquel C et al. Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters. ACS Omega, v. 10, n. 37, p. 42746–42759, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.5c05036. Acesso em: 07 out. 2025.
APA
Bezerra, R. C., Calderan, F. V., Sousa, P. F., Peraça, C. S. T., Quiles, M. G., & Silva, J. L. F. da. (2025). Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters. ACS Omega, 10( 37), 42746–42759. doi:10.1021/acsomega.5c05036
NLM
Bezerra RC, Calderan FV, Sousa PF, Peraça CST, Quiles MG, Silva JLF da. Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters [Internet]. ACS Omega. 2025 ; 10( 37): 42746–42759.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c05036
Vancouver
Bezerra RC, Calderan FV, Sousa PF, Peraça CST, Quiles MG, Silva JLF da. Exploring the adsorption properties of small molecules on CeZr-Based nanoclusters [Internet]. ACS Omega. 2025 ; 10( 37): 42746–42759.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c05036
Artigo de periodico
Assessing the role of composition and size effects in the hydrogen evolution reaction on NimPdn–m clusters (n=13 and 27) (2025)
Souza, Tiago Mendes de ; Fonseca, Henrique A. B. ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: ACS Omega. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS, ELETRÓLISE, HIDROGÊNIO
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ABNT
SOUZA, Tiago Mendes de et al. Assessing the role of composition and size effects in the hydrogen evolution reaction on NimPdn–m clusters (n=13 and 27). ACS Omega, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.5c05544. Acesso em: 07 out. 2025.
APA
Souza, T. M. de, Fonseca, H. A. B., Silva, J. L. F. da, & Galvão, B. R. L. (2025). Assessing the role of composition and size effects in the hydrogen evolution reaction on NimPdn–m clusters (n=13 and 27). ACS Omega. doi:10.1021/acsomega.5c05544
NLM
Souza TM de, Fonseca HAB, Silva JLF da, Galvão BRL. Assessing the role of composition and size effects in the hydrogen evolution reaction on NimPdn–m clusters (n=13 and 27) [Internet]. ACS Omega. 2025 ;[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c05544
Vancouver
Souza TM de, Fonseca HAB, Silva JLF da, Galvão BRL. Assessing the role of composition and size effects in the hydrogen evolution reaction on NimPdn–m clusters (n=13 and 27) [Internet]. ACS Omega. 2025 ;[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c05544
Artigo de periodico
Structural and mechanical properties of refractory Nb30X25Ti25Al15V5 (X = Zr, Mo) high-entropy alloys (2025)
Mazo, João H.; Soares, Carolina ; Inui, Guilherme K. ; Oliveira, Marcelo Falcão de ; Silva, Juarez Lopes Ferreira da
Source: Materials Science and Engineering A. Unidades: EESC, IQSC
Subjects: DENSIDADE, ENTROPIA, MATERIAIS
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ABNT
MAZO, João H. et al. Structural and mechanical properties of refractory Nb30X25Ti25Al15V5 (X = Zr, Mo) high-entropy alloys. Materials Science and Engineering A, v. 929, p. 148053, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.msea.2025.148053. Acesso em: 07 out. 2025.
APA
Mazo, J. H., Soares, C., Inui, G. K., Oliveira, M. F. de, & Silva, J. L. F. da. (2025). Structural and mechanical properties of refractory Nb30X25Ti25Al15V5 (X = Zr, Mo) high-entropy alloys. Materials Science and Engineering A, 929, 148053. doi:10.1016/j.msea.2025.148053
NLM
Mazo JH, Soares C, Inui GK, Oliveira MF de, Silva JLF da. Structural and mechanical properties of refractory Nb30X25Ti25Al15V5 (X = Zr, Mo) high-entropy alloys [Internet]. Materials Science and Engineering A. 2025 ;929 148053.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.msea.2025.148053
Vancouver
Mazo JH, Soares C, Inui GK, Oliveira MF de, Silva JLF da. Structural and mechanical properties of refractory Nb30X25Ti25Al15V5 (X = Zr, Mo) high-entropy alloys [Internet]. Materials Science and Engineering A. 2025 ;929 148053.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.msea.2025.148053
Artigo de periodico
Lessons learned on obtaining reliable dynamic properties for ionic liquids (2025)
Frömbgen, Tom; Zaby, Paul; Alizadeh, Vahideh; Silva, Juarez Lopes Ferreira da ; Kirchner, Barbara; Lourenço, Tuanan da Costa
Source: ChemPhysChem. Unidade: IQSC
Subjects: LÍQUIDOS IÔNICOS, ELETROQUÍMICA
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ABNT
FRÖMBGEN, Tom et al. Lessons learned on obtaining reliable dynamic properties for ionic liquids. ChemPhysChem, p. e202401048, 2025Tradução . . Disponível em: https://doi.org/10.1002/cphc.202401048. Acesso em: 07 out. 2025.
APA
Frömbgen, T., Zaby, P., Alizadeh, V., Silva, J. L. F. da, Kirchner, B., & Lourenço, T. da C. (2025). Lessons learned on obtaining reliable dynamic properties for ionic liquids. ChemPhysChem, e202401048. doi:10.1002/cphc.202401048
NLM
Frömbgen T, Zaby P, Alizadeh V, Silva JLF da, Kirchner B, Lourenço T da C. Lessons learned on obtaining reliable dynamic properties for ionic liquids [Internet]. ChemPhysChem. 2025 ;e202401048.[citado 2025 out. 07 ] Available from: https://doi.org/10.1002/cphc.202401048
Vancouver
Frömbgen T, Zaby P, Alizadeh V, Silva JLF da, Kirchner B, Lourenço T da C. Lessons learned on obtaining reliable dynamic properties for ionic liquids [Internet]. ChemPhysChem. 2025 ;e202401048.[citado 2025 out. 07 ] Available from: https://doi.org/10.1002/cphc.202401048
Artigo de periodico
Theoretical investigation of stacked two-dimensional transition-metal dichalcogenide materials: The role of chemical species and number of monolayers (2025)
Bracht, Jean M.; Querne, Mateus B. P.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P
Source: ACS Omega. Unidade: IQSC
Subjects: TRELIÇAS, MATERIAIS
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ABNT
BRACHT, Jean M. et al. Theoretical investigation of stacked two-dimensional transition-metal dichalcogenide materials: The role of chemical species and number of monolayers. ACS Omega, v. 10, p. 8922−8934, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.4c05423. Acesso em: 07 out. 2025.
APA
Bracht, J. M., Querne, M. B. P., Silva, J. L. F. da, & Lima, M. P. (2025). Theoretical investigation of stacked two-dimensional transition-metal dichalcogenide materials: The role of chemical species and number of monolayers. ACS Omega, 10, 8922−8934. doi:10.1021/acsomega.4c05423
NLM
Bracht JM, Querne MBP, Silva JLF da, Lima MP. Theoretical investigation of stacked two-dimensional transition-metal dichalcogenide materials: The role of chemical species and number of monolayers [Internet]. ACS Omega. 2025 ;10 8922−8934.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c05423
Vancouver
Bracht JM, Querne MBP, Silva JLF da, Lima MP. Theoretical investigation of stacked two-dimensional transition-metal dichalcogenide materials: The role of chemical species and number of monolayers [Internet]. ACS Omega. 2025 ;10 8922−8934.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c05423
Artigo de periodico
Unveiling termination preferences and screening of structural space in multi-metal Mxenes (2025)
Mocelim, Maurício ; Fonseca, Henrique A. B. ; Moraes, Pedro Ivo R. ; Silva, Juarez Lopes Ferreira da
Source: ACS Omega. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, MATERIAIS, ENERGIA
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ABNT
MOCELIM, Maurício et al. Unveiling termination preferences and screening of structural space in multi-metal Mxenes. ACS Omega, v. 10, n. 29, p. 32310-32325, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.5c04416. Acesso em: 07 out. 2025.
APA
Mocelim, M., Fonseca, H. A. B., Moraes, P. I. R., & Silva, J. L. F. da. (2025). Unveiling termination preferences and screening of structural space in multi-metal Mxenes. ACS Omega, 10( 29), 32310-32325. doi:10.1021/acsomega.5c04416
NLM
Mocelim M, Fonseca HAB, Moraes PIR, Silva JLF da. Unveiling termination preferences and screening of structural space in multi-metal Mxenes [Internet]. ACS Omega. 2025 ; 10( 29): 32310-32325.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c04416
Vancouver
Mocelim M, Fonseca HAB, Moraes PIR, Silva JLF da. Unveiling termination preferences and screening of structural space in multi-metal Mxenes [Internet]. ACS Omega. 2025 ; 10( 29): 32310-32325.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.5c04416
Artigo de periodico
Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0.25MA0.25FA0.50Pb(𝑋 ′ 𝑥𝑋1−𝑥 )3 (2025)
Santos, Ramiro M. dos ; Cruz, Ivan ; Lima, Matheus P ; Silva, Juarez Lopes Ferreira da
Source: Applied Materials Today. Unidade: IQSC
Subjects: CÉLULAS SOLARES, QUÍMICA TEÓRICA
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ABNT
SANTOS, Ramiro M. dos et al. Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0.25MA0.25FA0.50Pb(𝑋 ′ 𝑥𝑋1−𝑥 )3. Applied Materials Today, v. 44, p. 102712, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.apmt.2025.102712. Acesso em: 07 out. 2025.
APA
Santos, R. M. dos, Cruz, I., Lima, M. P., & Silva, J. L. F. da. (2025). Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0.25MA0.25FA0.50Pb(𝑋 ′ 𝑥𝑋1−𝑥 )3. Applied Materials Today, 44, 102712. doi:10.1016/j.apmt.2025.102712
NLM
Santos RM dos, Cruz I, Lima MP, Silva JLF da. Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0.25MA0.25FA0.50Pb(𝑋 ′ 𝑥𝑋1−𝑥 )3 [Internet]. Applied Materials Today. 2025 ;44 102712.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.apmt.2025.102712
Vancouver
Santos RM dos, Cruz I, Lima MP, Silva JLF da. Theoretical investigation of the role of halide alloys in the optoelectronic and stability properties of perovskites: The example of Cs0.25MA0.25FA0.50Pb(𝑋 ′ 𝑥𝑋1−𝑥 )3 [Internet]. Applied Materials Today. 2025 ;44 102712.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.apmt.2025.102712
Artigo de periodico
Impact of thin film thickness on the structural, energetic and optoelectronic properties of two-dimensional FPEA2(MAn−1)PbnI3n+1 Perovskites (2025)
Ribeiro, Israel Cristian da Cunha ; Pícoli, Felipe Donizete ; Moraes, Pedro Ivo Rodrigues ; Fonseca, André Felipe Vale da; Oliveira, Luiz Nunes de ; Nogueira, Ana Flávia ; Silva, Juarez Lopes Ferreira da
Source: ACS Applied Energy Materials. Unidades: IFSC, IQSC
Subjects: MATERIAIS, FILMES FINOS, MINERAIS
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ABNT
RIBEIRO, Israel Cristian da Cunha et al. Impact of thin film thickness on the structural, energetic and optoelectronic properties of two-dimensional FPEA2(MAn−1)PbnI3n+1 Perovskites. ACS Applied Energy Materials, v. 8, n. 6, p. 3346-3359, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsaem.4c02800. Acesso em: 07 out. 2025.
APA
Ribeiro, I. C. da C., Pícoli, F. D., Moraes, P. I. R., Fonseca, A. F. V. da, Oliveira, L. N. de, Nogueira, A. F., & Silva, J. L. F. da. (2025). Impact of thin film thickness on the structural, energetic and optoelectronic properties of two-dimensional FPEA2(MAn−1)PbnI3n+1 Perovskites. ACS Applied Energy Materials, 8( 6), 3346-3359. doi:10.1021/acsaem.4c02800
NLM
Ribeiro IC da C, Pícoli FD, Moraes PIR, Fonseca AFV da, Oliveira LN de, Nogueira AF, Silva JLF da. Impact of thin film thickness on the structural, energetic and optoelectronic properties of two-dimensional FPEA2(MAn−1)PbnI3n+1 Perovskites [Internet]. ACS Applied Energy Materials. 2025 ; 8( 6): 3346-3359.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsaem.4c02800
Vancouver
Ribeiro IC da C, Pícoli FD, Moraes PIR, Fonseca AFV da, Oliveira LN de, Nogueira AF, Silva JLF da. Impact of thin film thickness on the structural, energetic and optoelectronic properties of two-dimensional FPEA2(MAn−1)PbnI3n+1 Perovskites [Internet]. ACS Applied Energy Materials. 2025 ; 8( 6): 3346-3359.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsaem.4c02800
Artigo de periodico
Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields (2025)
Lourenço, Tuanan da Costa ; Zaby, Paul; Dias, Luis Gustavo ; Silva, Juarez Lopes Ferreira da ; Kirchner, Barbara
Source: Journal of Molecular Liquids. Unidades: FFCLRP, IQSC
Subjects: LÍQUIDOS IÔNICOS, SÓDIO
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ABNT
LOURENÇO, Tuanan da Costa et al. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields. Journal of Molecular Liquids, v. 428, p. 127496, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2025.127496. Acesso em: 07 out. 2025.
APA
Lourenço, T. da C., Zaby, P., Dias, L. G., Silva, J. L. F. da, & Kirchner, B. (2025). Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields. Journal of Molecular Liquids, 428, 127496. doi:10.1016/j.molliq.2025.127496
NLM
Lourenço T da C, Zaby P, Dias LG, Silva JLF da, Kirchner B. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields [Internet]. Journal of Molecular Liquids. 2025 ;428 127496.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.molliq.2025.127496
Vancouver
Lourenço T da C, Zaby P, Dias LG, Silva JLF da, Kirchner B. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields [Internet]. Journal of Molecular Liquids. 2025 ;428 127496.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.molliq.2025.127496
Artigo de jornal-dep/entr
Estudo computacional avalia novos eletrólitos para baterias do futuro (2025)
Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da ; Kirchner, Barbara
Source: Agência FAPESP. Unidade: IQSC
Subjects: ENERGIA, ELETRÓLITOS, MEIO AMBIENTE
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ABNT
LOURENÇO, Tuanan da Costa e SILVA, Juarez Lopes Ferreira da e KIRCHNER, Barbara. Estudo computacional avalia novos eletrólitos para baterias do futuro. Agência FAPESP. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Disponível em: https://agencia.fapesp.br/estudo-computacional-avalia-novos-eletrolitos-para-baterias-do-futuro/55396. Acesso em: 07 out. 2025. , 2025
APA
Lourenço, T. da C., Silva, J. L. F. da, & Kirchner, B. (2025). Estudo computacional avalia novos eletrólitos para baterias do futuro. Agência FAPESP. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://agencia.fapesp.br/estudo-computacional-avalia-novos-eletrolitos-para-baterias-do-futuro/55396
NLM
Lourenço T da C, Silva JLF da, Kirchner B. Estudo computacional avalia novos eletrólitos para baterias do futuro [Internet]. Agência FAPESP. 2025 ;[citado 2025 out. 07 ] Available from: https://agencia.fapesp.br/estudo-computacional-avalia-novos-eletrolitos-para-baterias-do-futuro/55396
Vancouver
Lourenço T da C, Silva JLF da, Kirchner B. Estudo computacional avalia novos eletrólitos para baterias do futuro [Internet]. Agência FAPESP. 2025 ;[citado 2025 out. 07 ] Available from: https://agencia.fapesp.br/estudo-computacional-avalia-novos-eletrolitos-para-baterias-do-futuro/55396
Artigo de periodico
A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis (2025)
Bühler, Raphael ; Schütz, Max ; Andriani, Karla Furtado ; Quiles, Marcos Gonçalves ; Mendonça, João Paulo Almeida de ; Ocampo-Restrepo, Vivianne K. ; Stephan, Johannes ; Ling, Sophia; Kahlal, Samia; Saillard, Jean-Yves ; Gemel, Christian; Silva, Juarez Lopes Ferreira da ; Fischer, Roland A
Source: Nature Chemistry. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, CATÁLISE, METAIS, NANOTECNOLOGIA
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ABNT
BÜHLER, Raphael et al. A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis. Nature Chemistry, v. 17, p. 525–531, 2025Tradução . . Disponível em: https://repositorio.usp.br/directbitstream/ca7a7220-4ff1-474b-a789-dc69b26765e4/P21689.pdf. Acesso em: 07 out. 2025.
APA
Bühler, R., Schütz, M., Andriani, K. F., Quiles, M. G., Mendonça, J. P. A. de, Ocampo-Restrepo, V. K., et al. (2025). A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis. Nature Chemistry, 17, 525–531. doi:10.1038/s41557-024-01726-3
NLM
Bühler R, Schütz M, Andriani KF, Quiles MG, Mendonça JPA de, Ocampo-Restrepo VK, Stephan J, Ling S, Kahlal S, Saillard J-Y, Gemel C, Silva JLF da, Fischer RA. A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis [Internet]. Nature Chemistry. 2025 ; 17 525–531.[citado 2025 out. 07 ] Available from: https://repositorio.usp.br/directbitstream/ca7a7220-4ff1-474b-a789-dc69b26765e4/P21689.pdf
Vancouver
Bühler R, Schütz M, Andriani KF, Quiles MG, Mendonça JPA de, Ocampo-Restrepo VK, Stephan J, Ling S, Kahlal S, Saillard J-Y, Gemel C, Silva JLF da, Fischer RA. A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis [Internet]. Nature Chemistry. 2025 ; 17 525–531.[citado 2025 out. 07 ] Available from: https://repositorio.usp.br/directbitstream/ca7a7220-4ff1-474b-a789-dc69b26765e4/P21689.pdf
Artigo de periodico
Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory (2025)
Marques, Henrique S.; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: ACS Omega. Unidades: IQSC, ICMC
Subjects: ESTRUTURA QUÍMICA, TRELIÇAS, MATERIAIS, FOSFATOS, ESTABILIDADE
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ABNT
MARQUES, Henrique S. e BITTENCOURT, Albert F. B e SILVA, Juarez Lopes Ferreira da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory. ACS Omega, v. 10, n. Ju 2025, p. 22521-22528, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.4c09997. Acesso em: 07 out. 2025.
APA
Marques, H. S., Bittencourt, A. F. B., & Silva, J. L. F. da. (2025). Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory. ACS Omega, 10( Ju 2025), 22521-22528. doi:10.1021/acsomega.4c09997
NLM
Marques HS, Bittencourt AFB, Silva JLF da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory [Internet]. ACS Omega. 2025 ; 10( Ju 2025): 22521-22528.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c09997
Vancouver
Marques HS, Bittencourt AFB, Silva JLF da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory [Internet]. ACS Omega. 2025 ; 10( Ju 2025): 22521-22528.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c09997
Artigo de periodico
Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite (2025)
Bittencourt, Albert F. B ; Moraes, Pedro Ivo R. ; Silva, Juarez Lopes Ferreira da
Source: ACS Omega. Unidade: IQSC
Subjects: ADSORÇÃO, ÁLCOOL, CATÁLISE, HIDROCARBONETOS
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ABNT
BITTENCOURT, Albert F. B e MORAES, Pedro Ivo R. e SILVA, Juarez Lopes Ferreira da. Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite. ACS Omega, v. 10, p. 3868−3877, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.4c09442. Acesso em: 07 out. 2025.
APA
Bittencourt, A. F. B., Moraes, P. I. R., & Silva, J. L. F. da. (2025). Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite. ACS Omega, 10, 3868−3877. doi:10.1021/acsomega.4c09442
NLM
Bittencourt AFB, Moraes PIR, Silva JLF da. Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite [Internet]. ACS Omega. 2025 ;10 3868−3877.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c09442
Vancouver
Bittencourt AFB, Moraes PIR, Silva JLF da. Mechanistic insights into the direct partial oxidation of methane to methanol catalyzed by single-atom transition metals on hydroxyapatite [Internet]. ACS Omega. 2025 ;10 3868−3877.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsomega.4c09442
Artigo de periodico
Computational screening of 2D transition metal halides for optical applications: The role of excitonic effects (2025)
Regis, Natan M.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P
Source: ACS Applied Energy Materials. Unidade: IQSC
Subjects: METAIS, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
REGIS, Natan M. e SILVA, Juarez Lopes Ferreira da e LIMA, Matheus P. Computational screening of 2D transition metal halides for optical applications: The role of excitonic effects. ACS Applied Energy Materials, v. 8, n. 13, p. 8992–9005, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsaem.5c00610. Acesso em: 07 out. 2025.
APA
Regis, N. M., Silva, J. L. F. da, & Lima, M. P. (2025). Computational screening of 2D transition metal halides for optical applications: The role of excitonic effects. ACS Applied Energy Materials, 8( 13), 8992–9005. doi:10.1021/acsaem.5c00610
NLM
Regis NM, Silva JLF da, Lima MP. Computational screening of 2D transition metal halides for optical applications: The role of excitonic effects [Internet]. ACS Applied Energy Materials. 2025 ; 8( 13): 8992–9005.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsaem.5c00610
Vancouver
Regis NM, Silva JLF da, Lima MP. Computational screening of 2D transition metal halides for optical applications: The role of excitonic effects [Internet]. ACS Applied Energy Materials. 2025 ; 8( 13): 8992–9005.[citado 2025 out. 07 ] Available from: https://doi.org/10.1021/acsaem.5c00610
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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, v. 26, p. 15877–15890, 2024Tradução . . Disponível em: https://doi.org/10.1039/D4CP00672K. Acesso em: 07 out. 2025.
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, 26, 15877–15890. 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 ;26 15877–15890.[citado 2025 out. 07 ] 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 ;26 15877–15890.[citado 2025 out. 07 ] Available from: https://doi.org/10.1039/D4CP00672K
Artigo de periodico
Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films (2024)
Ribeiro, Israel C.; Moraes, Pedro Ivo R. ; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: Applied Surface Science. Unidade: IQSC
Subjects: FILMES FINOS, MATERIAIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RIBEIRO, Israel C. et al. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films. Applied Surface Science, v. 678, p. 161098, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.apsusc.2024.161098. Acesso em: 07 out. 2025.
APA
Ribeiro, I. C., Moraes, P. I. R., Bittencourt, A. F. B., & Silva, J. L. F. da. (2024). Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films. Applied Surface Science, 678, 161098. doi:10.1016/j.apsusc.2024.161098
NLM
Ribeiro IC, Moraes PIR, Bittencourt AFB, Silva JLF da. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films [Internet]. Applied Surface Science. 2024 ;678 161098.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.apsusc.2024.161098
Vancouver
Ribeiro IC, Moraes PIR, Bittencourt AFB, Silva JLF da. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films [Internet]. Applied Surface Science. 2024 ;678 161098.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.apsusc.2024.161098
Trabalho de evento-resumo
Exploring methane activation and conversion via computational chemistry and Data Science approaches (2024)
Andriani, Karla Furtado ; Felício-Sousa, Priscilla ; Peraça, Carina de Souza Teixeira; Moraes, Pedro Ivo R. ; Silva, Juarez Lopes Ferreira da
Source: Abstract Book. Conference titles: Latin American Conference on Physical Organic Chemistry - CLAFQO. Unidade: IQSC
Subjects: METANO, QUÍMICA ORGÂNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ANDRIANI, Karla Furtado et al. Exploring methane activation and conversion via computational chemistry and Data Science approaches. 2024, Anais.. Florianópolis: Instituto de Química de São Carlos, Universidade de São Paulo, 2024. Disponível em: https://www.even3.com.br/clafqo16/. Acesso em: 07 out. 2025.
APA
Andriani, K. F., Felício-Sousa, P., Peraça, C. de S. T., Moraes, P. I. R., & Silva, J. L. F. da. (2024). Exploring methane activation and conversion via computational chemistry and Data Science approaches. In Abstract Book. Florianópolis: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.even3.com.br/clafqo16/
NLM
Andriani KF, Felício-Sousa P, Peraça C de ST, Moraes PIR, Silva JLF da. Exploring methane activation and conversion via computational chemistry and Data Science approaches [Internet]. Abstract Book. 2024 ;[citado 2025 out. 07 ] Available from: https://www.even3.com.br/clafqo16/
Vancouver
Andriani KF, Felício-Sousa P, Peraça C de ST, Moraes PIR, Silva JLF da. Exploring methane activation and conversion via computational chemistry and Data Science approaches [Internet]. Abstract Book. 2024 ;[citado 2025 out. 07 ] Available from: https://www.even3.com.br/clafqo16/
Artigo de periodico
Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation (2024)
Moraes, Pedro Ivo R. ; Peraça, Carina S.T.; Silva, Juarez Lopes Ferreira da
Source: Molecular Catalysis. Unidade: IQSC
Subjects: CATÁLISE, METANO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MORAES, Pedro Ivo R. e PERAÇA, Carina S.T. e SILVA, Juarez Lopes Ferreira da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation. Molecular Catalysis, v. 564, p. 114318, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.mcat.2024.114318. Acesso em: 07 out. 2025.
APA
Moraes, P. I. R., Peraça, C. S. T., & Silva, J. L. F. da. (2024). Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation. Molecular Catalysis, 564, 114318. doi:10.1016/j.mcat.2024.114318
NLM
Moraes PIR, Peraça CST, Silva JLF da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation [Internet]. Molecular Catalysis. 2024 ;564 114318.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.mcat.2024.114318
Vancouver
Moraes PIR, Peraça CST, Silva JLF da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation [Internet]. Molecular Catalysis. 2024 ;564 114318.[citado 2025 out. 07 ] Available from: https://doi.org/10.1016/j.mcat.2024.114318
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 07 out. 2025.
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 2025 out. 07 ] 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 2025 out. 07 ] Available from: https://doi.org/10.1016/j.mtcomm.2023.107710

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