Correlation between materials structure and dynamic and optical properties of (Ax, A'1-x)O + SiO2 (A, A' = Pb, Ni, Co, Fe, Cr) series: Raman scattering and molecular dynamics simulations

• Grant number: 16/15962-0
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: November 01, 2016
• End date: July 18, 2019
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: José Pedro Rino
• Grantee: David Vieira Sampaio
• Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
• Associated research grant: 13/07793-6 - CEPIV - Center for Teaching, Research and Innovation in Glass, AP.CEPID

Abstract

The present proposal aims to study the crystallization kinetics and structural relaxation processes of glass samples of the series (Ax, A'1-x)O + SiO2 (A, A' = Pb, Ni, Co, Fe, Cr) by using the Molecular Dynamics simulations as computational technique and Raman scattering as the main experimental technique. (AU)

Scientific publications

(12)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

HORA, DANIELA A.; SILVA, ARIOSVALDO J. S.; NASCIMENTO, PATRESIO A. M.; SAMPAIO, DAVID V.; MOULTON, BENJAMIN J. A.; SILVA, RONALDO S.; REZENDE, MARCOS V. DOS S.. Effect of the amounts of Li+ additive on the luminescence properties of LiBaPO4:Eu phosphor. Optical Materials, v. 89, p. 329-333, MAR 2019. (16/18567-5, 16/15962-0, 13/07793-6)

MOULTON, BENJAMIN J. A.; RODRIGUES, ALISSON M.; SAMPAIO, DAVID V.; SILVA, LAIS D.; CUNHA, THIAGO R.; ZANOTTO, EDGAR D.; PIZANI, PAULO S.. The origin of the unusual DSC peaks of supercooled barium disilicate liquid. CrystEngComm, v. 21, n. 17, p. 2768-2778, MAY 7 2019. (16/15962-0, 16/18567-5)

SILVA, D. C.; SAMPAIO, V, D.; SILVA, J. H. L.; RODRIGUES, A. M.; PENA, R. B.; MOULTON, B. J. A.; PIZANI, P. S.; RINO, J. P.; SILVA, R. S.. Synthesis of PbO center dot SiO2 glass by CO2 laser melting method. Journal of Non-Crystalline Solids, v. 522, OCT 15 2019. (16/15962-0, 13/07793-6, 16/18567-5, 17/11868-2)

DE SOUZA, LUIZ K. C.; MARTINS, JOAO CARLOS; OLIVEIRA, DIOGO PADILHA; FERREIRA, CARLOS SERGIO; GONCALVES, ALEXANDRE A. S.; ARAUJO, RAYANNE O.; DA SILVA CHAAR, JAMAL; COSTA, MARIA J. F.; SAMPAIO, DAVID V.; PASSOS, RAIMUNDO R.; et al. Hierarchical porous carbon derived from acai seed biowaste for supercapacitor electrode materials. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, v. 31, n. 15, JUN 2020. (16/15962-0, 16/14165-0)

SAMPAIO, V, DAVID; PENA, RAFAELLA B.; MOULTON, BENJAMIN J. A.; REZENDE, V, MARCOS; SILVA, DEYVID DO C.; SILVA, RONALDO S.; DA CUNHA, THIAGO R.; MASTELARO, VALMOR R.; ZANOTTO, EDGAR D.; PIZANI, PAULO S.. Chromium in lead metasilicate glass: Solubility, valence, and local environment via multiple spectroscopy. CERAMICS INTERNATIONAL, v. 48, n. 1, p. 173-178, JAN 1 2022. (16/18567-5, 16/15962-0, 17/11868-2, 13/07793-6, 19/12383-8)

CARVALHO, IURE DA S.; BARBOSA, AMANDA I. DOS S.; SILVA, ARIOSVALDO J. S.; NASCIMENTO, PATRESIO A. M.; ANDRADE, ADRIANO B.; SAMPAIO, DAVID V.; JUNOT, DANILO O.; DA CUNHA, THIAGO R.; JESUS, LILIAN M.; SILVA, RONALDO S.; et al. Structural and photoluminescence properties of Eu3+-doped (Y2.99-xGdx)Al5O12 phosphors under vacuum ultraviolet and ultraviolet excitation. Materials Chemistry and Physics, v. 228, p. 9-14, APR 15 2019. (16/15962-0, 13/07793-6)

CUNHA, T. R.; RODRIGUES, A. D.; RODRIGUES, J. E.; SAMPAIO, V, D.; MOULTON, B. J. A.; DA COSTA, R. C.; PIZANI, P. S.. Thermal expansion, compressibility and bulk modulus of ilmenite-type CoTiO3: X-ray diffraction at high pressures and temperatures. SOLID STATE SCIENCES, v. 88, p. 1-5, FEB 2019. (16/15962-0, 13/07793-6, 16/18567-5)

MOULTON, BENJAMIN J. A.; RODRIGUES, ALISSON MENDES; PIZANI, PAULO SERGIO; SAMPAIO, DAVID VIEIRA; ZANOTTO, EDGAR DUTRA. A Raman investigation of the structural evolution of supercooled liquid barium disilicate during crystallization. INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE, v. 9, n. 4, p. 510-517, OCT 2018. (16/18567-5, 16/15962-0, 13/07793-6)

SAMPAIO, V, D.; PICININ, A.; MOULTON, BENJAMIN J. A.; RINO, J. P.; PIZANI, P. S.; ZANOTTO, E. D.. Raman scattering and molecular dynamics investigation of lead metasilicate glass and supercooled liquid structures. Journal of Non-Crystalline Solids, v. 499, p. 300-308, NOV 1 2018. (16/18567-5, 16/15962-0, 13/07793-6)

NASCIMENTO, PATRESIO A. M.; SILVA, ARIOVALDO J. S.; CARVALHO, IURE S.; SILVA, RONALDO S.; PASCHOAL, CARLOS WILLIAM A.; MOULTON, BENJAMIN J. A.; SAMPAIO, DAVID V.; FREIRE, R. S.; REZENDE, MARCOS V. DOS S.. Effects of Li addition on the luminescent properties of LiSrPO4:Eu3+ excited with X-ray and ultraviolet radiation. Journal of Alloys and Compounds, v. 836, SEP 25 2020. (16/15962-0, 16/18567-5)

PENA, R. B.; SAMPAIO, D. V.; LANCELOTTI, R. F.; CUNHA, T. R.; ZANOTTO, E. D.; PIZANI, P. S.. In-situ Raman spectroscopy unveils metastable crystallization in lead metasilicate glass. Journal of Non-Crystalline Solids, v. 546, OCT 15 2020. (19/12383-8, 16/15962-0, 13/07793-6, 17/11868-2)

PICININ, BENJAMIN J. A.; PICININ, ADALBERTO; SILVA, LAIS D.; DOERENKAMP, CARSTEN; LOZANO, HAROLD D.; SAMPAIO, DAVID; ZANOTTO, EDGAR D.; DU, JINCHENG S.; ECKERT, HELLMUT; PIZANI, PAULO S.. A critical evaluation of barium silicate glass network polymerization. Journal of Non-Crystalline Solids, v. 583, p. 19-pg., 2022-02-14. (16/18567-5, 17/06649-0, 13/07793-6, 16/15962-0)