Listar por autoría "45500aea-7bbc-424b-a4e0-a8833430ac0a"
Mostrando ítems 1-6 de 6
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A theoretical and experimental investigation of hetero- vs. homo-connectivity in barium silicates
Moulton, Benjamin; Gomes, Eduardo O.; Cunha, Thiago R.; Doerenkamp, Carsten; Gracia, Lourdes; Eckert, Hellmut; Andres, Juan; Pizani, Paulo Sergio Mineralogical Society of America (2022-04)Barium silicates may be found in contact aureoles and are used in several important technologies (e.g., LEDs). The BaO-SiO2 system stabilizes 13 crystalline phases with different silicate tetrahedral and connectivity ... -
Hierarchical Assembly of CaMoO4 Nano-Octahedrons and Their Photoluminescence Properties
Longo, V. M.; Cavalcante, Laécio Santos; Paris, Elaine Cristina; Sczancoski, Júlio César; Pizani, Paulo Sergio; Siu Li, Maximo; Andres, Juan; Longo, Elson; Varela, José A. ACS (2011-03)Hierarchical assemblies of CaMoO4 (CM) nano-octahedrons were obtained by microwave-assisted hydrothermal synthesis at 120 °C for different times. These structures were structurally, morphologically and optically characterized ... -
Identifying and explaining vibrational modes of sanbornite (low- BaSi2O5) and Ba5Si8O21: A joint experimental and theoretical study
de Oliveira Gomes, Eduardo; Moulton, Benjamin; Rodrigues da Cunha, Thiago; Gracia, Lourdes; Pizani, Paulo Sergio; Andres, Juan Elsevier (2021)We report here the analysis of vibrational properties of the sanbornite (low-BaSi2O5) and Ba5Si8O21 using theoretical and experimental approaches, as well as results of high temperature experiments up to 1100-1150 ̊C. ... -
Structural refinement, growth mechanism, infrared/Raman spectroscopies and photoluminescence properties of PbMoO4 crystals
Bomio, M. R. D.; Cavalcante, Laécio Santos; Almeida, M.A.P.; Tranquilin, R. L.; Batista, N.C.; Pizani, Paulo Sergio; Siu Li, Maximo; Andres, Juan; Longo, Elson Elsevier (2013)Lead molybdate (PbMoO4) crystals were synthesized by the co-precipitation method at room temperature and then processed in a conventional hydrothermal (CH) system at low temperature (70 °C for different times). These ... -
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, Julio; Dos Santos, M. L.; De Moura, Ana Paula; Pizani, Paulo Sergio; Andres, Juan; Longo, Elson; Varela, José A. American Chemical Society (2008-07)A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of ... -
Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experiments
Bartz Pena, Rafaella; Cunha, T. R.; Gomes, E. O.; Sampaio, D. V.; De Giovanni Rodrigues, Ariano; Andres, Juan; Pizani, Paulo Sergio Wiley (2023-10-09)Raman vibrational modes, temperature wavenumber coefficients, and isobaric-mode Grüneisen parameters of the monoclinic alamosite (PbSiO3) have beenpioneeringly characterized by combining density functional theory ...