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Artigo de periodico
Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys (2020)
Mendes, Paulo de Carvalho Dias ; Justo, Stella Granatto ; Mucelini, Johnatan ; Soares, Marinalva Dias ; Batista, Krys Elly de Araújo ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry C. Unidade: IQSC
Subjects: CATALISADORES, NANOPARTÍCULAS
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ABNT
MENDES, Paulo de Carvalho Dias et al. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, v. 124, n. 1, p. 1158-1164, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.9b09561. Acesso em: 04 nov. 2024.
APA
Mendes, P. de C. D., Justo, S. G., Mucelini, J., Soares, M. D., Batista, K. E. de A., Quiles, M. G., et al. (2020). Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, 124( 1), 1158-1164. doi:10.1021/acs.jpcc.9b09561
NLM
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Vancouver
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Artigo de periodico
New and rapid pulse sequences for two-dimensional D-T1 correlation measurements (2020)
Montrazi, Elton Tadeu ; Monaretto, Tatiana ; Bonagamba, Tito José ; Colnago, Luiz Alberto
Source: Journal of Magnetic Resonance. Unidades: IFSC, IQSC
Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, MATERIAIS
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ABNT
MONTRAZI, Elton Tadeu et al. New and rapid pulse sequences for two-dimensional D-T1 correlation measurements. Journal of Magnetic Resonance, v. 315, p. 106749-1-106749-6, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.jmr.2020.106749. Acesso em: 04 nov. 2024.
APA
Montrazi, E. T., Monaretto, T., Bonagamba, T. J., & Colnago, L. A. (2020). New and rapid pulse sequences for two-dimensional D-T1 correlation measurements. Journal of Magnetic Resonance, 315, 106749-1-106749-6. doi:10.1016/j.jmr.2020.106749
NLM
Montrazi ET, Monaretto T, Bonagamba TJ, Colnago LA. New and rapid pulse sequences for two-dimensional D-T1 correlation measurements [Internet]. Journal of Magnetic Resonance. 2020 ; 315 106749-1-106749-6.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.jmr.2020.106749
Vancouver
Montrazi ET, Monaretto T, Bonagamba TJ, Colnago LA. New and rapid pulse sequences for two-dimensional D-T1 correlation measurements [Internet]. Journal of Magnetic Resonance. 2020 ; 315 106749-1-106749-6.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.jmr.2020.106749
Artigo de periodico
Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters (2020)
Besse, Larissa Zibordi ; Verga, Lucas Garcia ; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
BESSE, Larissa Zibordi et al. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 8067-8076 Mar 2020, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00584C. Acesso em: 04 nov. 2024.
APA
Besse, L. Z., Verga, L. G., Restrepo, V. k, & Silva, J. L. F. da. (2020). Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, 22, 8067-8076 Mar 2020. doi:10.1039/D0CP00584C
NLM
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP00584C
Vancouver
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP00584C
Artigo de periodico
A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster (2020)
Ozório, Mailde da Silva ; Andriani, Karla Furtado ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
OZÓRIO, Mailde da Silva e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 14099-14108, 2020Tradução . . Disponível em: https://doi.org/10.1039/C9CP07005B. Acesso em: 04 nov. 2024.
APA
Ozório, M. da S., Andriani, K. F., & Silva, J. L. F. da. (2020). A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster. Physical Chemistry Chemical Physics - PCCP, 22, 14099-14108. doi:10.1039/C9CP07005B
NLM
Ozório M da S, Andriani KF, Silva JLF da. A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ; 22 14099-14108.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/C9CP07005B
Vancouver
Ozório M da S, Andriani KF, Silva JLF da. A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ; 22 14099-14108.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/C9CP07005B
Artigo de periodico
Optical and dielectric properties of lead perovskite and iodoplumbate complexes:: an ab initio study (2020)
Srikanth, Malladi ; Ozório, Mailde da Silva ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: CÉLULAS SOLARES
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ABNT
SRIKANTH, Malladi e OZÓRIO, Mailde da Silva e SILVA, Juarez Lopes Ferreira da. Optical and dielectric properties of lead perovskite and iodoplumbate complexes:: an ab initio study. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 18423--18434, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP03512B. Acesso em: 04 nov. 2024.
APA
Srikanth, M., Ozório, M. da S., & Silva, J. L. F. da. (2020). Optical and dielectric properties of lead perovskite and iodoplumbate complexes:: an ab initio study. Physical Chemistry Chemical Physics - PCCP, 22, 18423--18434. doi:10.1039/D0CP03512B
NLM
Srikanth M, Ozório M da S, Silva JLF da. Optical and dielectric properties of lead perovskite and iodoplumbate complexes:: an ab initio study [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 18423--18434.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP03512B
Vancouver
Srikanth M, Ozório M da S, Silva JLF da. Optical and dielectric properties of lead perovskite and iodoplumbate complexes:: an ab initio study [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 18423--18434.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP03512B
Artigo de periodico
Mixed Halide Lead-free Double Perovskite Alloys for Band Gap Engineering (2020)
Silveira, Julian Francisco Rama Vieira ; Silva, Juarez Lopes Ferreira da
Source: ACS Applied Energy Materials. Unidade: IQSC
Assunto: CÉLULAS SOLARES
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ABNT
SILVEIRA, Julian Francisco Rama Vieira e SILVA, Juarez Lopes Ferreira da. Mixed Halide Lead-free Double Perovskite Alloys for Band Gap Engineering. ACS Applied Energy Materials, v. 3, n. 8, p. 7364–7371, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsaem.0c00739. Acesso em: 04 nov. 2024.
APA
Silveira, J. F. R. V., & Silva, J. L. F. da. (2020). Mixed Halide Lead-free Double Perovskite Alloys for Band Gap Engineering. ACS Applied Energy Materials, 3( 8), 7364–7371. doi:10.1021/acsaem.0c00739
NLM
Silveira JFRV, Silva JLF da. Mixed Halide Lead-free Double Perovskite Alloys for Band Gap Engineering [Internet]. ACS Applied Energy Materials. 2020 ;3( 8): 7364–7371.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acsaem.0c00739
Vancouver
Silveira JFRV, Silva JLF da. Mixed Halide Lead-free Double Perovskite Alloys for Band Gap Engineering [Internet]. ACS Applied Energy Materials. 2020 ;3( 8): 7364–7371.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acsaem.0c00739
Artigo de periodico
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study (2020)
Lourenço, Tuanan da Costa ; Ebadi, Mahsa ; Brandell, Daniel ; Silva, Juarez Lopes Ferreira da ; Costa, Luciano Tavares da
Source: The Journal of Physical Chemistry B. Unidade: IQSC
Subjects: BATERIAS ELÉTRICAS, METAIS, LÍTIO, ELETRÓLITOS
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ABNT
LOURENÇO, Tuanan da Costa et al. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, v. 124, p. 9648−9657, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.0c06500. Acesso em: 04 nov. 2024.
APA
Lourenço, T. da C., Ebadi, M., Brandell, D., Silva, J. L. F. da, & Costa, L. T. da. (2020). Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, 124, 9648−9657. doi:10.1021/acs.jpcb.0c06500
NLM
Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
Vancouver
Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
Artigo de periodico
A hybrid density functional theory investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states (2020)
Ozório, Mailde da Silva ; Silva, Augusto Cesar Huppes da ; Silva, Juarez Lopes Ferreira da
Source: Journal of Cluster Science. Unidade: IQSC
Subjects: QUÍMICA QUÂNTICA, CLUSTERS
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ABNT
OZÓRIO, Mailde da Silva e SILVA, Augusto Cesar Huppes da e SILVA, Juarez Lopes Ferreira da. A hybrid density functional theory investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states. Journal of Cluster Science, v. 31, p. 1213–1220, 2020Tradução . . Disponível em: https://doi.org/10.1007/s10876-019-01728-z. Acesso em: 04 nov. 2024.
APA
Ozório, M. da S., Silva, A. C. H. da, & Silva, J. L. F. da. (2020). A hybrid density functional theory investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states. Journal of Cluster Science, 31, 1213–1220. doi:10.1007/s10876-019-01728-z
NLM
Ozório M da S, Silva ACH da, Silva JLF da. A hybrid density functional theory investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states [Internet]. Journal of Cluster Science. 2020 ; 31 1213–1220.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1007/s10876-019-01728-z
Vancouver
Ozório M da S, Silva ACH da, Silva JLF da. A hybrid density functional theory investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states [Internet]. Journal of Cluster Science. 2020 ; 31 1213–1220.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1007/s10876-019-01728-z
Artigo de periodico
Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation (2020)
Amaral, Rafael Costa ; Forhat, Ahmad; Caturello, Naidel A. M. S ; Silva, Juarez Lopes Ferreira da
Source: Surface Science. Unidade: IQSC
Assunto: ADSORÇÃO
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ABNT
AMARAL, Rafael Costa et al. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, v. No2020, p. 121700, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.susc.2020.121700. Acesso em: 04 nov. 2024.
APA
Amaral, R. C., Forhat, A., Caturello, N. A. M. S., & Silva, J. L. F. da. (2020). Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, No2020, 121700. doi:10.1016/j.susc.2020.121700
NLM
Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
Vancouver
Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
Artigo de periodico
Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization (2020)
Ozório, Mailde da Silva ; Oliveira, Willian X. C. ; Silveira, Julian Francisco Rama Vieira ; Nogueira, Ana Flávia ; Silva, Juarez Lopes Ferreira da
Source: Materials Advances. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
OZÓRIO, Mailde da Silva et al. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, v. 1, p. 3439-3448, 2020Tradução . . Disponível em: https://doi.org/10.1039/d0ma00791a. Acesso em: 04 nov. 2024.
APA
Ozório, M. da S., Oliveira, W. X. C., Silveira, J. F. R. V., Nogueira, A. F., & Silva, J. L. F. da. (2020). Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, 1, 3439-3448. doi:10.1039/d0ma00791a
NLM
Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/d0ma00791a
Vancouver
Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/d0ma00791a
Artigo de periodico
Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene (2020)
Caturello, Naidel A. M. S ; Silveira, Julian Francisco Rama Vieira ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: FÍSICO-QUÍMICA
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ABNT
CATURELLO, Naidel A. M. S e SILVEIRA, Julian Francisco Rama Vieira e SILVA, Juarez Lopes Ferreira da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 26865--26875, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP04573J. Acesso em: 04 nov. 2024.
APA
Caturello, N. A. M. S., Silveira, J. F. R. V., & Silva, J. L. F. da. (2020). Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, 22, 26865--26875. doi:10.1039/D0CP04573J
NLM
Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP04573J
Vancouver
Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/D0CP04573J
Artigo de periodico
Insights into the nature of optically active defects of ZnO (2020)
Cabral, Luis; Richard, Victor Lopez; Silva, Juarez Lopes Ferreira da ; Marques, G.E.; Lima, Matheus P ; Onofre, Y. J; Teodoro, M. D; Godoy, M P F de
Source: Journal of Luminescence. Unidade: IQSC
Subjects: FOTOLUMINESCÊNCIA, FOTOCONDUTIVIDADE
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ABNT
CABRAL, Luis et al. Insights into the nature of optically active defects of ZnO. Journal of Luminescence, v. No 2020, p. 117536, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.jlumin.2020.117536. Acesso em: 04 nov. 2024.
APA
Cabral, L., Richard, V. L., Silva, J. L. F. da, Marques, G. E., Lima, M. P., Onofre, Y. J., et al. (2020). Insights into the nature of optically active defects of ZnO. Journal of Luminescence, No 2020, 117536. doi:10.1016/j.jlumin.2020.117536
NLM
Cabral L, Richard VL, Silva JLF da, Marques GE, Lima MP, Onofre YJ, Teodoro MD, Godoy MPF de. Insights into the nature of optically active defects of ZnO [Internet]. Journal of Luminescence. 2020 ; No 2020 117536.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.jlumin.2020.117536
Vancouver
Cabral L, Richard VL, Silva JLF da, Marques GE, Lima MP, Onofre YJ, Teodoro MD, Godoy MPF de. Insights into the nature of optically active defects of ZnO [Internet]. Journal of Luminescence. 2020 ; No 2020 117536.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.jlumin.2020.117536
Artigo de periodico
Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2, CO, NO, CO2, NO2, and CH4 on the van derWaals layered Sn3O4 semiconductor (2020)
Freire, Rafael L. H. ; Marcelo O. Orlandi ; Silva, Juarez Lopes Ferreira da
Source: Physical Review Materials. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, SEMICONDUTORES
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ABNT
FREIRE, Rafael L. H. e MARCELO O. ORLANDI, e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2, CO, NO, CO2, NO2, and CH4 on the van derWaals layered Sn3O4 semiconductor. Physical Review Materials, v. 4, n. 10, p. 104002, 2020Tradução . . Disponível em: https://doi.org/10.1103/PhysRevMaterials.4.104002. Acesso em: 04 nov. 2024.
APA
Freire, R. L. H., Marcelo O. Orlandi,, & Silva, J. L. F. da. (2020). Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2, CO, NO, CO2, NO2, and CH4 on the van derWaals layered Sn3O4 semiconductor. Physical Review Materials, 4( 10), 104002. doi:10.1103/PhysRevMaterials.4.104002
NLM
Freire RLH, Marcelo O. Orlandi, Silva JLF da. Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2, CO, NO, CO2, NO2, and CH4 on the van derWaals layered Sn3O4 semiconductor [Internet]. Physical Review Materials. 2020 ; 4( 10): 104002.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1103/PhysRevMaterials.4.104002
Vancouver
Freire RLH, Marcelo O. Orlandi, Silva JLF da. Ab initio investigation of the role of charge transfer in the adsorption properties of H2, N2, O2, CO, NO, CO2, NO2, and CH4 on the van derWaals layered Sn3O4 semiconductor [Internet]. Physical Review Materials. 2020 ; 4( 10): 104002.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1103/PhysRevMaterials.4.104002
Artigo de periodico
Active electrochemical interfaces stabilized through self-organized potential oscillations (2020)
Nogueira, Jéssica Alves; Lopes, Pietro P; Markovic, Nenad M; Varela, Hamilton
Source: Electrochemistry Communications. Unidade: IQSC
Subjects: METANOL, ELETROCATÁLISE
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ABNT
NOGUEIRA, Jéssica Alves et al. Active electrochemical interfaces stabilized through self-organized potential oscillations. Electrochemistry Communications, v. 121 art. 106853, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.elecom.2020.106853. Acesso em: 04 nov. 2024.
APA
Nogueira, J. A., Lopes, P. P., Markovic, N. M., & Varela, H. (2020). Active electrochemical interfaces stabilized through self-organized potential oscillations. Electrochemistry Communications, 121 art. 106853. doi:10.1016/j.elecom.2020.106853
NLM
Nogueira JA, Lopes PP, Markovic NM, Varela H. Active electrochemical interfaces stabilized through self-organized potential oscillations [Internet]. Electrochemistry Communications. 2020 ; 121 art. 106853[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.elecom.2020.106853
Vancouver
Nogueira JA, Lopes PP, Markovic NM, Varela H. Active electrochemical interfaces stabilized through self-organized potential oscillations [Internet]. Electrochemistry Communications. 2020 ; 121 art. 106853[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.elecom.2020.106853
Artigo de periodico
Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis (2020)
Andriani, Karla Furtado ; Mucelini, Johnatan ; Silva, Juarez Lopes Ferreira da
Source: Fuel: The Science and Technology of Fuel and Energy. Unidade: IQSC
Subjects: CATALISADORES, METANOL, GÁS NATURAL, CÉLULAS A COMBUSTÍVEL
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ABNT
ANDRIANI, Karla Furtado e MUCELINI, Johnatan e SILVA, Juarez Lopes Ferreira da. Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis. Fuel: The Science and Technology of Fuel and Energy, v. 275, p. 117790, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.fuel.2020.117790. Acesso em: 04 nov. 2024.
APA
Andriani, K. F., Mucelini, J., & Silva, J. L. F. da. (2020). Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis. Fuel: The Science and Technology of Fuel and Energy, 275, 117790. doi:10.1016/j.fuel.2020.117790
NLM
Andriani KF, Mucelini J, Silva JLF da. Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis [Internet]. Fuel: The Science and Technology of Fuel and Energy. 2020 ; 275 117790.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.fuel.2020.117790
Vancouver
Andriani KF, Mucelini J, Silva JLF da. Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis [Internet]. Fuel: The Science and Technology of Fuel and Energy. 2020 ; 275 117790.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1016/j.fuel.2020.117790
Artigo de periodico
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset (2020)
Pinheiro, Gabriel A.; Mucelini, Johnatan ; Soares, Marinalva Dias ; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PINHEIRO, Gabriel A. et al. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, v. No 2020, n. 47, p. 9854–9866, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c05969. Acesso em: 04 nov. 2024.
APA
Pinheiro, G. A., Mucelini, J., Soares, M. D., Prati, R. C., Silva, J. L. F. da, & Quiles, M. G. (2020). Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, No 2020( 47), 9854–9866. doi:10.1021/acs.jpca.0c05969
NLM
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
Vancouver
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
Artigo de periodico
First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures (2019)
Besse, Rafael ; Lima, Matheus P. ; Silva, Juarez Lopes Ferreira da
Source: ACS Applied Energy Materials. Unidades: IQSC, IFSC
Subjects: SEMICONDUTORES, CALCOGÊNIOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BESSE, Rafael e LIMA, Matheus P. e SILVA, Juarez Lopes Ferreira da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures. ACS Applied Energy Materials, v. 2, n. 12, p. 8491-8501, 2019Tradução . . Disponível em: https://doi.org/10.1021/acsaem.9b01433. Acesso em: 04 nov. 2024.
APA
Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures. ACS Applied Energy Materials, 2( 12), 8491-8501. doi:10.1021/acsaem.9b01433
NLM
Besse R, Lima MP, Silva JLF da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures [Internet]. ACS Applied Energy Materials. 2019 ; 2( 12): 8491-8501.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acsaem.9b01433
Vancouver
Besse R, Lima MP, Silva JLF da. First-principles exploration of two-dimensional transition metal dichalcogenides based on Fe, Co, Ni, and Cu groups and their van der Waals heterostructures [Internet]. ACS Applied Energy Materials. 2019 ; 2( 12): 8491-8501.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1021/acsaem.9b01433
Artigo de periodico
Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters (2019)
Felício-Sousa, Priscilla ; Mucelini, Johnatan ; Besse, Larissa Zibordi ; Andriani, Karla Furtado ; Seminovski, Yohanna; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FELÍCIO-SOUSA, Priscilla et al. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, v. 21, p. 26637-26646, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J. Acesso em: 04 nov. 2024.
APA
Felício-Sousa, P., Mucelini, J., Besse, L. Z., Andriani, K. F., Seminovski, Y., Prati, R. C., & Silva, J. L. F. da. (2019). Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, 21, 26637-26646. doi:10.1039/c9cp04762j
NLM
Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2024 nov. 04 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
Vancouver
Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2024 nov. 04 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
Artigo de periodico
Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation (2019)
Silva, Augusto Cesar Huppes da ; Caturello, Naidel A. M. S ; Besse, Rafael ; Lima, Matheus P ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidades: IQSC, IFSC
Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Augusto Cesar Huppes da et al. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, v. 21, p. 23076-23084, 2019Tradução . . Disponível em: https://doi.org/10.1039/C9CP03698A. Acesso em: 04 nov. 2024.
APA
Silva, A. C. H. da, Caturello, N. A. M. S., Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, 21, 23076-23084. doi:10.1039/C9CP03698A
NLM
Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/C9CP03698A
Vancouver
Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2024 nov. 04 ] Available from: https://doi.org/10.1039/C9CP03698A

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