Morphological Transformation Network of Nanoparticles via DFT Simulations
Laranjeira, J. A. S, Fabris, G. S. L, Ferrer, M. M, Albuquerque, A. R, Sambrano, J. R
Published in Crystal growth & design (01.07.2020)
Published in Crystal growth & design (01.07.2020)
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Porous silicene and silicon graphenylene-like surfaces: a DFT study
Fabris, G. S. L., Marana, N. L., Longo, E., Sambrano, J. R.
Published in Theoretical chemistry accounts (2018)
Published in Theoretical chemistry accounts (2018)
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Electronic, mechanical and piezoelectric properties of glass-like complex Na 2 Si 1- x Ge x O 3 ( x = 0.0, 0.25, 0.50, 0.75, 1.0)
Zosiamliana, R, Chettri, B, Fabris, G S L, Sambrano, J R, Abdullaev, Sherzod, Abdurakhmanov, G, Rai, D P
Published in RSC advances (22.09.2022)
Published in RSC advances (22.09.2022)
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Electronic and Structural Properties of the (101̅0) and (112̅0) ZnO Surfaces
Marana, N. L, Longo, V. M, Longo, E, Martins, J. B. L, Sambrano, J. R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
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Strong violet-blue light photoluminescence emission at room temperature in SrZrO3 : Joint experimental and theoretical study
LONGO, V. M, CAVALCANTE, L. S, VARELA, J. A, LONGO, Elson, ERLO, R, MASTELARO, V. R, DE FIGUEIREDO, A. T, SAMBRANO, J. R, DE LAZARO, S, FREITAS, A. Z, GOMES, L, VIEIRA, N. D
Published in Acta materialia (01.06.2008)
Published in Acta materialia (01.06.2008)
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First-principles calculations and Raman scattering evidence for local symmetry lowering in rhombohedral ilmenite: temperature- and pressure-dependent studies
Rodrigues, J E, Ferrer, M M, Cunha, T R, Costa, R C, Sambrano, J R, Rodrigues, A D, Pizani, P S
Published in Journal of physics. Condensed matter (05.12.2018)
Published in Journal of physics. Condensed matter (05.12.2018)
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Journal Article
TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation
Moura, K.F., Maul, J., Albuquerque, A.R., Casali, G.P., Longo, E., Keyson, D., Souza, A.G., Sambrano, J.R., Santos, I.M.G.
Published in Journal of solid state chemistry (01.02.2014)
Published in Journal of solid state chemistry (01.02.2014)
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In silico infrared and Raman spectroscopy under pressure: the case of CaSnO3 perovskite
Maul, J, Erba, A, Santos, I M G, Sambrano, J R, Dovesi, R
Published in The Journal of chemical physics (07.01.2015)
Published in The Journal of chemical physics (07.01.2015)
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Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 Composite Systems
Beltrán, A, Andrés, J, Sambrano, J. R, Longo, E
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
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Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals
La Porta, F. A, Andrés, J, Vismara, M. V. G, Graeff, C. F. O, Sambrano, J. R, Li, M. S, Varela, J. A, Longo, E
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2014)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2014)
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Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study
Lima, R. C, Macario, L. R, Espinosa, J. W. M, Longo, V. M, Erlo, R, Marana, N. L, Sambrano, J. R, dos Santos, M. L, Moura, A. P, Pizani, P. S, Andrés, J, Longo, E, Varela, J. A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
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Journal Article
Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO3/LaNiO3 Nanostructured Films for Enhanced Optoelectronic Devices
Mazzo, T. M, Macario, L. R, Gorup, L. F, Bouquet, V, Députier, S, Ollivier, S, Guilloux-Viry, M, Albuquerque, A. R, Sambrano, J. R, La Porta, F. A, Longo, E
Published in ACS applied nano materials (24.05.2019)
Published in ACS applied nano materials (24.05.2019)
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Intense violet-blue photoluminescence in BaZrO3 powders : A theoretical and experimental investigation of structural order-disorder
CAVALCANTE, L. S, SCZANCOSKI, J. C, LONGE, V. M, DE VICENTE, F. S, SAMBRANO, J. R, DE FIGUEIREDO, A. T, DALMASCHIO, C. J, LI, M. Siu, VARELA, J. A, LONGO, E
Published in Optics communications (15.07.2008)
Published in Optics communications (15.07.2008)
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Static simulation of bulk and selected surfaces of anatase TiO2
BELTRAN, A, SAMBRANO, J. R, CALATAYUD, M, SENSATO, F. R, ANDRES, J
Published in Surface science (01.09.2001)
Published in Surface science (01.09.2001)
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Journal Article
Controlling the Electronic, Structural, and Optical Properties of Novel MgTiO 3 /LaNiO 3 Nanostructured Films for Enhanced Optoelectronic Devices
Mazzo, T. M., Macario, L. R., Gorup, L. F., Bouquet, V., Députier, S., Ollivier, S., Guilloux-Viry, M., Albuquerque, A. R., Sambrano, J. R., La Porta, F. A., Longo, E.
Published in ACS applied nano materials (24.05.2019)
Published in ACS applied nano materials (24.05.2019)
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Journal Article
DFT Study of the Reaction between VO2 + and C2H6
Gracia, L, Andrés, J, Safont, V. S, Beltrán, A, Sambrano, J. R
Published in Organometallics (16.02.2004)
Published in Organometallics (16.02.2004)
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Theoretical Study on the Molecular Mechanism for the Reaction of VO2 + with C2H4
Gracia, L, Sambrano, J. R, Safont, V. S, Calatayud, M, Beltrán, A, Andrés, J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.05.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.05.2003)
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