Estudo teórico-experimental de semicondutores multifuncionais

• Processo: 13/26671-9
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Data de Início da vigência: 01 de maio de 2014
• Data de Término da vigência: 31 de julho de 2018
• Área de conhecimento: Engenharias - Engenharia de Materiais e Metalúrgica - Materiais Não-metálicos
• Pesquisador responsável: Elson Longo da Silva
• Beneficiário: Amanda Fernandes Gouveia
• Instituição Sede: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brasil
• Bolsa(s) vinculada(s): 17/07240-8 - Atividade catalítica do nanotubo de TiO2 no processo de decomposição da água, BE.EP.DR
• Assunto(s): Semicondutores Dióxido de titânio Química teórica Nanotecnologia
• Palavra(s)-Chave do Pesquisador: Decomposição da água | Química Teórica | semicondutores | TiO2 | ZnS | Nanotecnologia

Resumo

A busca incessante por uma energia limpa, barata e renovável tem sido realizada por inúmeros grupos de pesquisa. Os semicondutores, tais como TiO2 e ZnS, tem sido foco de estudo para aplicação nesse campo. Esses semicondutores podem ser aplicados no processo de decomposição da água para obtenção de hidrogênio, no qual é utilizado como combustível. O crescente avanço tecnológico na área computacional permitiu o aprimoramento em diferentes campos de pesquisas, ressaltando a Química Teórica que é capaz de aprimorar, induzir e prever novas propriedades em materiais com potenciais aplicações tecnológicas. O objetivo deste projeto teórico-experimental é sintetizar um eletrodo de TiO2 e realizar uma deposição de ZnS em sua superfície a fim de verificar a utilização desses eletrodos no processo de decomposição da água. Além disso, aplicar a Química Teórica e Computacional, a fim de proporcionar uma melhor compreensão das propriedades físicas, químicas e estruturais desses semicondutores. Os resultados serão comparados com dados encontrados na literatura.

Publicações científicas

(36)

(Referências obtidas automaticamente do Web of Science e do SciELO, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores)

MONDEGO, MAYARA; DE OLIVEIRA, REGIANE C.; PENHA, MAYA; LI, MAXIMO SIU; LONGO, ELSON. Blue and red light photoluminescence emission at room temperature from CaTiO3 decorated with alpha-Ag2WO4. CERAMICS INTERNATIONAL, v. 43, n. 7, p. 5759-5766, MAY 2017. (13/26671-9, 13/07296-2)

ASSIS, MARCELO; MACEDO, NADIA G.; MACHADO, THALES R.; FERRER, MATEUS M.; GOUVEIA, AMANDA F.; CORDONCILLO, ELOISA; TORRES-MENDIETA, RAFAEL; BELTRAN-MIR, HECTOR; MINGUEZ-VEGA, GLADYS; LEITE, EDSON R.; et al. Laser/Electron Irradiation on Indium Phosphide (InP) Semiconductor: Promising Pathways to In Situ Formation of Indium Nanoparticles. PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, v. 35, n. 11, NOV 2018. (16/07476-9, 13/26671-9, 13/07296-2)

TRENCH, ALINE BARRIOS; MACHADO, THALES RAFAEL; GOUVEIA, AMANDA FERNANDES; ASSIS, MARCELO; DA TRINDADE, LETICIA GUERREIRO; SANTOS, CLAYANE; PERRIN, ANDRE; PERRIN, CHRISTIANE; OLIVA, MONICA; ANDRES, JUAN; et al. Connecting structural, optical, and electronic properties and photocatalytic activity of Ag3PO4:Mo complemented by DFT calculations. APPLIED CATALYSIS B-ENVIRONMENTAL, v. 238, p. 198-211, DEC 15 2018. (13/26671-9, 13/07296-2)

DOS SANTOS, CLAYANE CARVALHO; DE ASSIS, MARCELO; MACHADO, THOLES RAFAEL; DOS SANTOS PEREIRA, PAULA FABIANA; MINGUEZ-VEGA, GLADYS; CORDONCILLO, ELOISA; BELTRAN-MIR, HECTOR; DONATE-BUENDIA, CARLOS; ANDRES, JUAN; LONGO, ELSON. Proof-of-Concept Studies Directed toward the Formation of Metallic Ag Nanostructures from Ag3PO4 Induced by Electron Beam and Femtosecond Laser. PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, v. 36, n. 6, JUN 2019. (13/26671-9, 13/07296-2, 14/14171-4)

PEREIRA, P. F. S.; GOUVEIA, A. F.; ASSIS, M.; DE OLIVEIRA, R. C.; PINATTI, I. M.; PENHA, M.; GONCALVES, R. F.; GRACIA, L.; ANDRES, J.; LONGO, E.. ZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic properties. Physical Chemistry Chemical Physics, v. 20, n. 3, p. 1923-1937, JAN 21 2018. (17/07240-8, 12/14004-5, 13/23995-8, 17/13008-0, 14/14171-4, 13/26671-9, 13/07296-2)

ASSIS, MARCELO; CARVALHO DE OLIVEIRA, MARISA; MACHADO, THALES RAFAEL; MACEDO, NADIA GUERRA; CAMPOS COSTA, JOAO PAULO; GRACIA, LOURDES; ANDRES, JUAN; LONGO, ELSON. In Situ Growth of Bi Nanoparticles on NaBiO3, delta-, and beta-Bi2O3 Surfaces: Electron Irradiation and Theoretical Insights. Journal of Physical Chemistry C, v. 123, n. 8, p. 5023-5030, FEB 28 2019. (13/26671-9, 13/07296-2)

MACEDO, NADIA G.; GOUVEIA, AMANDA F.; ROCA, ROMAN A.; ASSIS, MARCELO; GRACIA, LOURDES; ANDRES, JUAN; LEITE, EDSON R.; LONGO, ELSON. Surfactant-Mediated Morphology and Photocatalytic Activity of alpha-Ag2WO4 Material. Journal of Physical Chemistry C, v. 122, n. 15, p. 8667-8679, APR 19 2018. (17/07240-8, 13/07296-2, 13/26671-9, 12/14004-5)

LEMOS, P. S.; SILVA, G. S.; ROCA, R. A.; ASSIS, M.; TORRES-MENDIETA, R.; BELTRAN-MIR, H.; MINGUEZ-VEGA, G.; CORDONCILLO, E.; ANDRES, J.; LONGO, E.. Laser and electron beam-induced formation of Ag/Cr structures on Ag2CrO4. Physical Chemistry Chemical Physics, v. 21, n. 11, p. 6101-6111, MAR 21 2019. (13/26671-9, 13/07296-2)

LEMOS, PABLO S.; ALTOMARE, A.; GOUVEIA, A. F.; NOGUEIRA, I. C.; GRACIA, L.; LLUSAR, R.; ANDRES, J.; LONGO, E.; CAVALCANTE, LAECIO S.. Synthesis and characterization of metastable beta-Ag2WO4: an experimental and theoretical approach. DALTON TRANSACTIONS, v. 45, n. 3, p. 1185-1191, 2016. (13/26671-9, 13/07296-2)

DE OLIVEIRA, R. C.; GRACIA, L.; ASSIS, M.; LI, M. SIU; ANDRES, J.; LONGO, E.; CAVALCANTE, L. S.. Disclosing the electronic structure and optical properties of Ag4V2O7 crystals: experimental and theoretical insights. CrystEngComm, v. 18, n. 34, p. 6483-6491, 2016. (13/26671-9, 13/07296-2)

OLIVEIRA, MARISA C.; GRACIA, LOURDES; NOGUEIRA, ICAMIRA C.; GURGEL, MARIA FERNANDA C.; MERCURY, JOSE MANUEL R.; LONGO, ELSON; ANDRES, JUAN. On the morphology of BaMoO4 crystals: A theoretical and experimental approach. Crystal Research and Technology, v. 51, n. 10, p. 634-644, OCT 2016. (12/14468-1, 13/26671-9, 13/07296-2, 14/04350-9)

DE OLIVEIRA, REGIANE C.; ZANETTI, SONIA M.; ASSIS, MARCELO; PENHA, MAYA; MONDEGO, MAYARA; CILENSE, MARIO; LONGO, ELSON; CAVALCANTE, LAECIO S.. Effect of metallic Ag growth on the electrical resistance of 3D flower-like Ag4V2O7 crystals. Journal of the American Ceramic Society, v. 100, n. 6, p. 2358-2362, JUN 2017. (13/26671-9, 13/07296-2)

ASSIS, MARCELO; CORDONCILLO, ELOISA; TORRES-MENDIETA, RAFAEL; BELTRAN-MIR, HECTOR; MINGUEZ-VEGA, GLADYS; GOUVEIA, AMANDA FERNANDES; LEITE, EDSON; ANDRES, JUAN; LONGO, ELSON. Laser-induced formation of bismuth nanoparticles. Physical Chemistry Chemical Physics, v. 20, n. 20, p. 13693-13696, MAY 28 2018. (13/26671-9, 13/07296-2)

GOUVEIA, AMANDA F.; FERRER, MATEUS M.; SAMBRANO, JULIO R.; ANDRES, JUAN; LONGO, ELSON. Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4. Chemical Physics Letters, v. 660, p. 87-92, SEP 1 2016. (13/07296-2, 13/26671-9)

ASSISI, M.; ROBELDO, T.; FOGGI, C. C.; KUBO, A. M.; MINGUEZ-VEGA, G.; CONDONCILLO, E.; BELTRAN-MIR, H.; TORRES-MENDIETA, R.; ANDRES, J.; OLIVA, M.; et al. Ag Nanoparticles/α-Ag₂WO₄ Composite Formed by Electron Beam and Femtosecond Irradiation as Potent Antifungal and Antitumor Agents. SCIENTIFIC REPORTS, v. 9, p. 15-pg., 2019-07-09. (13/07296-2, 13/26671-9, 17/12594-3)

LEMOS, PABLO S.; ALTOMARE, A.; GOUVEIA, A. F.; NOGUEIRA, I. C.; GRACIA, L.; LLUSAR, R.; ANDRES, J.; LONGO, E.; CAVALCANTE, LAECIO S.. Synthesis and characterization of metastable β-Ag₂WO₄: an experimental and theoretical approach. DALTON TRANSACTIONS, v. 45, n. 3, p. 7-pg., 2016-01-01. (13/07296-2, 13/26671-9)

SILVA, GABRIELA S.; GRACIA, LOURDES; FABBRO, MARIA T.; SEREJO DOS SANTOS, LUIS P.; BELTRAN-MIR, HECTOR; CORDONCILLO, ELOISA; LONGO, ELSON; ANDRES, JUAN. Theoretical and Experimental Insight on Ag₂CrO₄ Microcrystals: Synthesis, Characterization, and Photoluminescence Properties. Inorganic Chemistry, v. 55, n. 17, p. 10-pg., 2016-09-05. (13/07296-2, 13/26671-9)

TEIXEIRA, MAYARA MONDEGO; DE OLIVEIRA, REGIANE CRISTINA; CARVALHO OLIVEIRA, MARISA; PONTES RIBEIRO, RENAN AUGUSTO; DE LAZARO, SERGIO R.; LI, MAXIMO SIU; CHIQUITO, ADENILSON J.; GRACIA, LOURDES; ANDRES, JUAN; LONGO, ELSON. Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca₁₀V₆O₂₅. Inorganic Chemistry, v. 57, n. 24, p. 11-pg., 2018-12-17. (13/07296-2, 13/26671-9)

ANDRES, JUAN; GRACIA, LOURDES; GOUVEIA, AMANDA FERNANDES; FERRER, MATEUS MENEGHETTI; LONGO, ELSON. Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations. Nanotechnology, v. 26, n. 40, p. 11-pg., 2015-10-09. (13/26671-9, 13/07296-2, 12/14468-1, 14/04350-9)

ANDRES, JUAN; GRACIA, LOURDES; GOUVEIA, AMANDA FERNANDES; FERRER, MATEUS MENEGHETTI; LONGO, ELSON. Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations. Nanotechnology, v. 26, n. 40, OCT 9 2015. (12/14468-1, 13/26671-9, 13/07296-2, 14/04350-9)

BYZYNSKI, GABRIELA; MELO, CAMILA; VOLANTI, DIOGO P.; FERRER, MATEUS M.; GOUVEIA, AMANDA F.; RIBEIRO, CAUE; ANDRES, JUAN; LONGO, ELSON. The interplay between morphology and photocatalytic activity in ZnO and N-doped ZnO crystals. MATERIALS & DESIGN, v. 120, p. 363-375, APR 15 2017. (15/04511-5, 13/07296-2, 14/17343-0, 13/26671-9)

ANDRES, JUAN; GOUVEIA, AMANDA FERNANDES; GRACIA, LOURDES; LONGO, ELSON; MANZEPPI FACCIN, GIOVANI; DA SILVA, EDISON ZACARIAS; PEREIRA, DOUGLAS HENRIQUE; SAN-MIGUEL, MIGUEL ANGEL. Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first-principles calculations. International Journal of Quantum Chemistry, v. 118, n. 9, SI, MAY 5 2018. (17/07240-8, 15/19709-5, 13/26671-9, 13/07296-2)

ROCA, ROMAN A.; GOUVEIA, AMANDA F.; LEMOS, PABLO S.; GRACIA, LOURDES; ANDRES, JUAN; LONGO, ELSON. Formation of Ag Nanoparticles on beta-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study. Inorganic Chemistry, v. 55, n. 17, p. 8661-8671, SEP 5 2016. (13/07296-2, 13/26671-9, 12/14004-5)

SILVA, GABRIELA S.; GRACIA, LOURDES; FABBRO, MARIA T.; SEREJO DOS SANTOS, LUIS P.; BELTRAN-MIR, HECTOR; CORDONCILLO, ELOISA; LONGO, ELSON; ANDRES, JUAN. Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties. Inorganic Chemistry, v. 55, n. 17, p. 8961-8970, SEP 5 2016. (13/07296-2, 13/26671-9)

ASSISI, M.; ROBELDO, T.; FOGGI, C. C.; KUBO, A. M.; MINGUEZ-VEGA, G.; CONDONCILLO, E.; BELTRAN-MIR, H.; TORRES-MENDIETA, R.; ANDRES, J.; OLIVA, M.; et al. Ag Nanoparticles/alpha-Ag2WO4 Composite Formed by Electron Beam and Femtosecond Irradiation as Potent Antifungal and Antitumor Agents. SCIENTIFIC REPORTS, v. 9, JUL 9 2019. (17/12594-3, 13/26671-9, 13/07296-2)

GOUVEIA, A. F.; VIEIRA, V. E. M.; SCZANCOSKI, J. C.; LEMOS, P. S.; ROUT, S. K.; ARUL, N. S.; LONGO, E.; CAVALCANTE, L. S.. Electronic Structure, Morphological Aspects, and Photocatalytic Discoloration of Three Organic Dyes with MgWO4 Powders Synthesized by the Complex Polymerization Method. Journal of Inorganic and Organometallic Polymers and Materials, v. 30, n. 8, JAN 2020. (12/14004-5, 13/26671-9, 17/11986-5)

TEIXEIRA, MAYARA MONDEGO; DE OLIVEIRA, REGIANE CRISTINA; CARVALHO OLIVEIRA, MARISA; PONTES RIBEIRO, RENAN AUGUSTO; DE LAZARO, SERGIO R.; LI, MAXIMO SIU; CHIQUITO, ADENILSON J.; GRACIA, LOURDES; ANDRES, JUAN; LONGO, ELSON. Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25. Inorganic Chemistry, v. 57, n. 24, p. 15489-15499, DEC 17 2018. (13/26671-9, 13/07296-2)

OLIVEIRA, REGIANE CRISTINA; TEIXEIRA, MAYARA MONDEGO; COSTA, JOAO PAULO C.; PENHA, MAYA; FRANCISCO, ERIC MARK; DA SILVA, JUSSARA SOARES; LI, MAXIMO SIU; LONGO, ELSON; GRACIA, LOURDES; ANDRES, JUAN. alpha- and beta-AgVO3 polymorphs as photoluminescent materials: An example of temperature-driven synthesis. CERAMICS INTERNATIONAL, v. 44, n. 6, p. 5939-5944, APR 15 2018. (13/26671-9, 13/07296-2)

ANDRES, JUAN; GOUVEIA, AMANDA FERNANDES; GRACIA, LOURDES; LONGO, ELSON; MANZEPPI FACCIN, GIOVANI; DA SILVA, EDISON ZACARIAS; PEREIRA, DOUGLAS HENRIQUE; SAN-MIGUEL, MIGUEL ANGEL. Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first-principles calculations. International Journal of Quantum Chemistry, v. 118, n. 9, p. 15-pg., 2018-05-05. (17/07240-8, 13/07296-2, 15/19709-5, 13/26671-9)

PEREIRA, PAULA F. S.; SANTOS, CLAYANE C.; GOUVEIA, AMANDA F.; FERRER, MATEUS M.; PINATTI, IVO M.; BOTELHO, GLEICE; SAMBRANO, JULIO R.; ROSA, IEDA L. V.; ANDRES, JUAN; LONGO, ELSON. alpha-Ag2-2xZnxWO4 (0 <= x <= 0.25) Solid Solutions: Structure, Morphology, and Optical Properties. Inorganic Chemistry, v. 56, n. 13, p. 7360-7372, JUL 3 2017. (12/14004-5, 13/23995-8, 16/07476-9, 14/14171-4, 13/26671-9, 13/07296-2)

ASSIS, MARCELO; CORDONCILLO, ELOISA; TORRES-MENDIETA, RAFAEL; BELTRAN-MIR, HECTOR; MINGUEZ-VEGA, GLADYS; OLIVEIRA, REGIANE; LEITE, EDSON R.; FOGGI, CAMILA C.; VERGANI, CARLOS E.; LONGO, ELSON; et al. Towards the scale-up of the formation of nanoparticles on alpha-Ag2WO4 with bactericidal properties by femtosecond laser irradiation. SCIENTIFIC REPORTS, v. 8, JAN 30 2018. (13/26671-9, 13/07296-2)

FERRER, M. M.; GOUVEIA, A. F.; GRACIA, L.; LONGO, E.; ANDRES, J.. A 3D platform for the morphology modulation of materials: first principles calculations on the thermodynamic stability and surface structure of metal oxides: Co3O4, alpha-Fe2O3, and In2O3. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, v. 24, n. 2, FEB 2016. (12/14468-1, 13/26671-9, 13/07296-2, 14/04350-9)

BYZYNSKI, GABRIELA; MELO, CAMILA; VOLANTI, DIOGO P.; FERRER, MATEUS M.; GOUVEIA, AMANDA F.; RIBEIRO, CAUE; ANDRES, JUAN; LONGO, ELSON. The interplay between morphology and photocatalytic activity in ZnO and N-doped ZnO crystals. MATERIALS & DESIGN, v. 120, p. 13-pg., 2017-04-15. (13/26671-9, 14/17343-0, 13/07296-2, 15/04511-5)

ONUE DE JESUS, LETICIA AKEMI; BARBOSA, MACIEL L.; RIBEIRO, LARA K.; VERONEZE, ISABELLY BERTOCHI; OLIVEIRA COSTA, MATEUS; OTTAIANO GONCALVES, MARIANA; DE SOUSA, CRISTINA PAIVA; LONGO, ELSON; CRUZ, SANDRA A.. Plasma Treatment-Induced Exposure of α-Ag₂WO₄ Nanoparticles in Biobased Polymers for Medical Device Applications. ACS APPLIED NANO MATERIALS, v. 8, n. 22, p. 13-pg., 2025-05-26. (13/26671-9, 21/08224-1, 23/11548-9, 23/12399-7)

PEREIRA, PAULA F. S.; SANTOS, CLAYANE C.; GOUVEIA, AMANDA F.; FERRER, MATEUS M.; PINATTI, IVO M.; BOTELHO, GLEICE; SAMBRANO, JULIO R.; ROSA, IEDA L. V.; ANDRES, JUAN; LONGO, ELSON. α-Ag_2-2xZn_xWO₄ (0 ≤ x ≤ 0.25) Solid Solutions: Structure, Morphology, and Optical Properties. Inorganic Chemistry, v. 56, n. 13, p. 13-pg., 2017-07-03. (13/26671-9, 13/07296-2, 16/07476-9, 13/23995-8, 12/14004-5, 14/14171-4)

LEMOS, P. S.; SILVA, G. S.; ROCA, R. A.; ASSIS, M.; TORRES-MENDIETA, R.; BELTRAN-MIR, H.; MINGUEZ-VEGA, G.; CORDONCILLO, E.; ANDRES, J.; LONGO, E.. Laser and electron beam-induced formation of Ag/Cr structures on Ag₂CrO₄. Physical Chemistry Chemical Physics, v. 21, n. 11, p. 11-pg., 2019-03-21. (13/07296-2, 13/26671-9)