Auxílio à pesquisa 17/02317-2 - Isolantes topológicos, Big data - BV FAPESP
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Interfaces em materiais: propriedades eletrônicas, magnéticas, estruturais e de transporte

Processo: 17/02317-2
Modalidade de apoio:Auxílio à Pesquisa - Temático
Data de Início da vigência: 01 de novembro de 2017
Data de Término da vigência: 31 de outubro de 2023
Área do conhecimento:Ciências Exatas e da Terra - Física - Física da Matéria Condensada
Pesquisador responsável:Adalberto Fazzio
Beneficiário:Adalberto Fazzio
Instituição Sede: Centro Nacional de Pesquisa em Energia e Materiais (CNPEM). Ministério da Ciência, Tecnologia e Inovação (Brasil). Campinas , SP, Brasil
Pesquisadores principais:
Alexandre Reily Rocha ; Antonio José Roque da Silva ; Caetano Rodrigues Miranda ; Carlos César Bof Bufon ; Flavio Leandro de Souza ; Gustavo Martini Dalpian ; Iseli Lourenço Nantes Cardoso ; José Antonio Souza ; Wendel Andrade Alves
Pesquisadores associados: Alex Zunger ; Antonio Tavares da Costa Junior ; Caio Henrique Lewenkopf ; Cedric Rocha Leão ; Flavio Leandro de Souza ; Jeverson Teodoro Arantes Junior ; José Antonio Souza ; José Eduardo Padilha de Sousa ; Juliana Casares Araújo Chaves ; Luana Sucupira Pedroza ; Matheus Paes Lima ; Mauricio Domingues Coutinho Neto ; Pedro Paulo de Mello Venezuela ; Renato Borges Pontes ; Roberto Gomes de Aguiar Veiga ; Roberto Hiroki Miwa ; Tome Mauro Schmidt
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Assunto(s):Isolantes topológicos  Big data  Propriedades magnéticas  Propriedades eletrônicas  Propriedades dos materiais  Materiais 
Palavra(s)-Chave do Pesquisador:big data | interação sólidos-líquidos | Interfaces | Isolantes Topológicos | metodologias para cálculos em materiais | superfícies | Física da Matéria Condensada

Resumo

A pesquisa na área de materiais tem avançado nos últimos anos, partindo de um enfoque basicamente aplicado, e relacionado à Engenharia, até a posição ocupada hoje onde tem grande impacto em outras áreas, incluindo a Física, Química e Biologia. Isto ocorre em grande parte pelos avanços tecnológicos que nos tem permitido estudar e manipular a matéria em escala atômica e molecular. Este projeto pretende atuar neste nicho, desvendando as propriedades de materiais, procurando por novos materiais e desenvolvendo metodologias avançadas para o tratamento e entendimento destes. O projeto focará principalmente nas propriedades de superfícies e interfaces, estudando fenômenos emergentes. Destacamos dentre esses materiais e propriedades: 1) o estudo de isolantes topológicos quando em interface com outros materiais; 2) o estudo da interface entre sólidos e líquidos, com aplicações em energia, como fotoeletroquímica e física do petróleo; 3) o estudo de materiais bidimensionais quando em contato com outros materiais incluindo biomoléculas; 4) o estudo de propriedades ópticas em interfaces de heteroestruturas, principalmente de materiais 2D com foco no desenho de células fotovoltaicas de próxima geração. Nesta proposta teórico/experimental utilizaremos técnicas do estado da arte. Do ponto de vista teórico a Engenharia de Materiais será obtida por meio de técnicas de big data em Ciência de Materiais, que inclui a utilização dos grandes repositórios de materiais e o desenvolvimento de códigos do tipo "high throughtput", varrendo diferentes famílias de materiais. A partir de candidatos selecionados refinaremos os estudos utilizando combinações de métodos quânticos e clássicos. Estas interfaces também serão estudadas por meio de técnicas de síntese de nano e microestruturas de materiais semicondutores e magnéticos e ligação de biomoléculas e moléculas orgânicas. (AU)

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Publicações científicas (188)
(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)
FOCASSIO, BRUNO; SCHLEDER, GABRIEL R.; PEZO, ARMANDO; COSTA, MARCIO; FAZZIO, ADALBERTO. Dual topological insulator device with disorder robustness. Physical Review B, v. 102, n. 4, . (17/02317-2, 16/14011-2, 19/04527-0, 17/18139-6)
MUKIM, S.; AMORIM, F. P.; ROCHA, A. R.; MUNIZ, R. B.; LEWENKOPF, C.; FERREIRA, M. S.. Disorder information from conductance: A quantum inverse problem. Physical Review B, v. 102, n. 7, . (17/10292-0, 17/02317-2, 16/01343-7)
MIRANDA, ERICA G. A.; ARAUJO-CHAVES, JULIANA C.; KAWAI, CINTIA; BRITO, ADRIANNE M. M.; DIAS, IGOR W. R.; ARANTES, JEVERSON T.; NANTES-CARDOSO, ISELI L.. Cardiolipin Structure and Oxidation Are Affected by Ca2+ at the Interface of Lipid Bilayers. FRONTIERS IN CHEMISTRY, v. 7, . (15/17688-0, 17/02317-2)
DE LIMA, F. CRASTO; MIWA, R. H.; FAZZIO, A.. Jacutingaite-family: A class of topological materials. Physical Review B, v. 102, n. 23, . (19/20857-0, 17/02317-2)
DE MELLO, LUCAS R.; CARRASCOSA, VINICIUS; REBELATO, EDUARDO; JULIANO, MARIA A.; HAMLEY, IAN W.; CASTELLETTO, VALERIA; VASSILIADES, SANDRA V.; ALVES, WENDEL A.; NAKAIE, CLOVIS R.; DA SILVA, EMERSON R.. Nanostructure Formation and Cell Spheroid Morphogenesis of a Peptide Supramolecular Hydrogel. Langmuir, v. 38, n. 11, p. 12-pg., . (18/23269-9, 19/19719-1, 17/02317-2, 21/10092-6, 14/50867-3, 09/52430-3)
NICOLICHE, CAROLINE Y. N.; PASCON, ALINE M.; BEZERRA, ITALO R. S.; DE CASTRO, ANA C. H.; MARTOS, GABRIEL R.; BETTINI, JEFFERSON; ALVES, WENDEL A.; SANTHIAGO, MURILO; LIMA, RENATO S.. In Situ Nanocoating on Porous Pyrolyzed Paper Enables Antibiofouling and Sensitive Electrochemical Analyses in Biological Fluids. ACS APPLIED MATERIALS & INTERFACES, v. 14, n. 2, p. 12-pg., . (14/50867-3, 17/02317-2)
FOCASSIO, BRUNO; SCHLEDER, GABRIEL R.; COSTA, MARCIO; FAZZIO, ADALBERTO; LEWENKOPF, CAIO. Structural and electronic properties of realistic two-dimensional amorphous topological insulators. 2D MATERIALS, v. 8, n. 2, . (17/18139-6, 16/14011-2, 17/02317-2, 19/04527-0)
ROJAS, WUDMIR Y.; VILLEGAS, CESAR E. P.; ROCHA, ALEXANDRE R.. Ab initio modelling of spin relaxation lengths in disordered graphene nanoribbons. Physical Chemistry Chemical Physics, v. 21, n. 47, p. 26027-26032, . (17/02317-2, 16/01343-7)
LIMA, MATHEUS P.. Spatial anisotropy of the quantum spin liquid system YbMgGaO4 revealed by ab initio calculations. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 32, n. 2, . (17/02317-2)
COSTA, MARCIO; SCHLEDER, GABRIEL R.; NARDELLI, MARCO BUONGIORNO; LEWENKOPF, CAIO; FAZZIO, ADALBERTO. Toward Realistic Amorphous Topological Insulators. Nano Letters, v. 19, n. 12, p. 8941-8946, . (17/18139-6, 17/02317-2, 16/14011-2)
DA SILVA, GIULIA S.; DE OLIVEIRA, LUIZA P.; COSTA, GABRIEL F.; GIORDANO, GABRIELA F.; NICOLICHE, CAROLINE Y. N.; DA SILVA, ALEXANDRE A.; KHAN, LATIF U.; DA SILVA, GABRIELA H.; GOBBI, ANGELO L.; SILVEIRA, JOSE V.; et al. Ordinary microfluidic electrodes combined with bulk nanoprobe produce multidimensional electric double-layer capacitances towards metal ion recognition. SENSORS AND ACTUATORS B-CHEMICAL, v. 305, . (17/18139-6, 17/00463-1, 17/02317-2)
KHANRA, SOMA; VASSILIADES, SANDRA V.; ALVES, WENDEL A.; YANG, KAIDI; GLASER, RAINER; GHOSH, KARTIK; BHATTACHARYA, PAYAL; YU, PING; GUHA, SUCHISMITA. Enhanced piezoresponse and nonlinear optical properties of fluorinated self-assembled peptide nanotubes. AIP ADVANCES, v. 9, n. 11, . (17/02317-2)
ACOSTA, CARLOS MERA; FAZZIO, ADALBERTO; DALPIAN, GUSTAVO M.. Zeeman-type spin splitting in nonmagnetic three-dimensional compounds. NPJ QUANTUM MATERIALS, v. 4, . (18/11856-7, 17/02317-2)
ADRIANNE M.M. BRITO; ELISANGELA BELLETI; LUCIVALDO R. MENEZES; ALEXANDRE J.C. LANFREDI; ISELI L. NANTES-CARDOS. Proteins and Peptides at the Interfaces of Nanostructures. Anais da Academia Brasileira de Ciências, v. 91, n. 4, . (15/17688-0, 17/02317-2)
ARAGON, F. F. H.; VILLEGAS-LELOVSKY, L.; CABRAL, L.; LIMA, M. P.; MESQUITA, A.; COAQUIRA, J. A. H.. Tuning the magnetic properties of Sn1-x-yCe4+xCe3+yO2 nanoparticles: an experimental and theoretical approach. NANOSCALE ADVANCES, v. 3, n. 5, p. 1484-1495, . (13/12993-4, 17/02317-2, 18/20729-9)
SOUZA JUNIOR, JOAO BATISTA; SCHLEDER, GABRIEL RAVANHANI; BETTINI, JEFFERSON; NOGUEIRA, ICAMIRA COSTA; FAZZIO, ADALBERTO; LEITE, EDSON ROBERTO. Pair Distribution Function Obtained from Electron Diffraction: An Advanced Real-Space Structural Characterization Tool. MATTER, v. 4, n. 2, p. 441-460, . (13/07296-2, 17/18139-6, 18/05159-1, 17/02317-2)
SOARES, BRUNA M.; SODRE, PEDRO T.; AGUILAR, ANDREA M.; GERBELLI, BARBARA B.; PELIN, JULIANE N. B. D.; ARGUELLO, KARINA B.; SILVA, EMERSON R.; DE FARIAS, MARCELO A.; PORTUGAL, RODRIGO V.; SCHMUCK, CARSTEN; et al. Structure optimization of lipopeptide assemblies for aldol reactions in an aqueous medium. Physical Chemistry Chemical Physics, v. 23, n. 18, p. 10953-10963, . (17/02317-2, 18/05888-3, 15/20446-9, 14/50867-3)
CRASTO DE LIMA, F.; FAZZIO, A.. Bandgap evolution in nanographene assemblies. Physical Chemistry Chemical Physics, v. 23, n. 19, p. 11501-11506, . (19/20857-0, 17/02317-2)
FREITAS, ANDRE L. M.; MUCHE, DERECK N. F.; LEITE, EDSON R.; SOUZA, FLAVIO L.. Interface engineering of nanoceramic hematite photoelectrode for solar energy conversion. Journal of the American Ceramic Society, v. 103, n. 12, p. 6833-6846, . (14/11736-0, 17/02317-2)
KRAYER, LISA J.; PALM, KEVIN J.; GONG, CHEN; TORRES, ALBERTO; VILLEGAS, CESAR E. P.; ROCHA, ALEXANDRE R.; LEITE, MARINA S.; MUNDAY, JEREMY N.. Enhanced near-Infrared Photoresponse from Nanoscale Ag-Au Alloyed Films. ACS PHOTONICS, v. 7, n. 7, p. 1689-1698, . (18/12545-5, 17/02317-2, 16/01343-7)
DE LIMA, F. CRASTO; FAZZIO, A.. Emergent quasiparticles in Euclidean tilings. NANOSCALE, v. 13, n. 10, . (19/20857-0, 17/02317-2)
BEDIN, KAREN CRISTINA; MOURINO, BEATRIZ; RODRIGUEZ-GUTIERREZ, INGRID; SOUZA JUNIOR, JOAO BATISTA; DOS SANTOS, GABRIEL TRINDADE; BETTINI, JEFFERSON; RODRIGUES COSTA, CARLOS ALBERTO; VAYSSIERES, LIONEL; SOUZA, FLAVIO LEANDRO. Solution chemistry back-contact FTO/hematite interface engineering for efficient photocatalytic water oxidation. CHINESE JOURNAL OF CATALYSIS, v. 43, n. 5, p. 11-pg., . (17/02317-2, 17/11986-5)
PETRY, ROMANA; SILVESTRE, GUSTAVO H.; FOCASSIO, BRUNO; DE LIMA, FELIPE CRASTO; MIWA, ROBERTO H.; FAZZIO, ADALBERTO. Machine Learning of Microscopic Ingredients for Graphene Oxide/Cellulose Interaction. Langmuir, v. 38, n. 3, p. 7-pg., . (17/02317-2, 19/20857-0, 18/25103-0, 19/04527-0)
TORRES, ALBERTO; PEDROZA, LUANA S.; FERNANDEZ-SERRA, MARIVI; ROCHA, ALEXANDRE R.. Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water. Journal of Physical Chemistry B, v. 125, n. 38, p. 10772-10778, . (17/02317-2, 16/01343-7, 17/10292-0)
TELLES DA CRUZ, ADRIANA FALCONI; SANCHES, RAMON DOMINGUES; MIRANDA, CAETANO RODRIGUES; BROCHSZTAIN, SERGIO. Evaluation of Cyclodextrins as Environmentally Friendly Wettability Modifiers for Enhanced Oil Recovery. COLLOIDS AND INTERFACES, v. 2, n. 1, . (17/02317-2, 16/05496-2)
SCHLEDER, GABRIEL RAVANHANI; PADILHA, ANTONIO CLAUDIO M.; ROCHA, ALEXANDRE REILY; DALPIAN, GUSTAVO MARTINI; FAZZIO, ADALBERTO. Ab lnitio Simulations and Materials Chemistry in the Age of Big Data. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 60, n. 2, p. 452-459, . (17/18139-6, 18/05565-0, 17/02317-2)
SUBTIL, EDUARDO L.; GONCALVES, JAMILE; LEMOS, HUGO G.; VENANCIO, EVERALDO C.; MIERZWA, JOSE CARLOS; DE SOUZA, JULIANA DOS SANTOS; ALVES, WENDEL; LE-CLECH, PIERRE. Preparation and characterization of a new composite conductive polyethersulfone membrane using polyaniline (PANI) and reduced graphene oxide (rGO). CHEMICAL ENGINEERING JOURNAL, v. 390, . (14/50867-3, 11/16615-9, 17/02317-2, 16/23684-0)
JULIANA CASARES ARAÚJO-CHAVES; BIANCA BELLINI; HEBERT FREITAS DOS SANTOS; DERVAL SANTOS ROSA; ISELI LOURENÇO NANTES-CARDOSO. Duplo Benefício Ambiental pela Remoção de Corantes Fotosensibilizadores da Água com Uso de Resíduo Sólido Particulado. MATERIA-RIO DE JANEIRO, v. 24, n. 3, . (15/17688-0, 17/02317-2)
DE PAULA, VINICIUS G.; DE OLIVEIRA, LEONARDO S.; MENDES FILHO, ANIBAL A.; RIOS, CARLOS T.; SOUZA, JOSE A.. Thermal annealing influence on structural, magnetic, electronic, and mechanical properties of off-stoichiometric Ni40Cu10Mn35Ti15 all-d-metal Heusler alloy. Journal of Materials Research, v. 35, n. 21, p. 3004-3011, . (18/15682-3, 17/02317-2)
GABRIEL G. DE TOLEDO; VICTOR H. TOLEDO; ALEXANDRE J.C. LANFREDI; MARCIA ESCOTE; ANA CHAMPI; MARIA CRISTINA C. DA SILVA; ISELI L. NANTES-CARDOSO. Promising Nanostructured Materials against Enveloped Virus. Anais da Academia Brasileira de Ciências, v. 92, n. 4, . (17/02317-2, 19/26919-7)
CARLA C. DECANDIO; SANDRA V. VASSILIADES; BARBARA B. GERBELLI; ANDREA M. AGUILAR; WENDEL A. ALVES. Hybrid Hydrogels Based on Polyethylene Glycol Bioconjugated with Silylated-Amyloidogenic Peptides. Journal of the Brazilian Chemical Society, v. 31, n. 11, p. 2200-2210, . (17/02317-2, 14/50867-3)
PEZO, ARMANDO; LIMA, MATHEUS P.; COSTA, MARCIO; FAZZIO, ADALBERTO. Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent. Physical Chemistry Chemical Physics, v. 21, n. 21, p. 11359-11366, . (17/02317-2, 16/14011-2)
SCHLEDER, GABRIEL R.; AZEVEDO, GUSTAVO M.; NOGUEIRA, ICAMIRA C.; REBELO, QUEREM H. F.; BETTINI, JEFFERSON; FAZZIO, ADALBERTO; LEITE, EDSON R.. Decreasing Nanocrystal Structural Disorder by Ligand Exchange: An Experimental and Theoretical Analysis. Journal of Physical Chemistry Letters, v. 10, n. 7, p. 1471-1476, . (17/18139-6, 17/02317-2, 13/07296-2)
SOMBRIO, G.; POMAR, C. A. D.; DE OLIVEIRA, L. S.; FREITAS, A. L. M.; SOUZA, F. L.; SOUZA, J. A.. Novel design of photocatalyst coaxial ferromagnetic core and semiconducting shell microwire architecture. JOURNAL OF CATALYSIS, v. 370, p. 61-69, . (17/02317-2)
LIMA, MATHEUS PAES; FAZZIO, ADALBERTO; ROQUE DA SILVA, ANTONIO JOSE. Silicene-Based FET for Logical Technology. IEEE ELECTRON DEVICE LETTERS, v. 39, n. 8, p. 1258-1261, . (17/02317-2)
PEREZ, A.; AMORIM, RODRIGO G.; VILLEGAS, CESAR E. P.; ROCHA, ALEXANDRE R.. Nanogap-based all-electronic DNA sequencing devices using MoS2 monolayers. Physical Chemistry Chemical Physics, v. 22, n. 46, p. 27053-27059, . (16/01343-7, 17/02317-2)
DE BARROS, MARCELO PAES; ARAUJO-CHAVES, JULIANA CASARES; BRITO, ADRIANNE MARLISE MENDES; NANTES-CARDOSO, ISELI LOURENCO. Oxidative/Nitrative Mechanism of Molsidomine Mitotoxicity Assayed by the Cytochrome c Reaction with SIN-1 in Models of Biological Membranes. Chemical Research in Toxicology, v. 33, n. 11, p. 2775-2784, . (15/17688-0, 17/06032-2, 17/02317-2)
PELIN, JULIANE N. B. D.; EDWARDS-GAYLE, CHARLOTTE J. C.; CASTELLETTO, VALERIA; AGUILAR, ANDREA M.; ALVES, WENDEL A.; SEITSONEN, JANI; RUOKOLAINEN, JANNE; HAMLEY, IAN W.. Self-Assembly, Nematic Phase Formation, and Organocatalytic Behavior of a Proline-Functionalized Lipopeptide. ACS APPLIED MATERIALS & INTERFACES, v. 12, n. 12, p. 13671-13679, . (15/20446-9, 18/12535-0, 17/02317-2)
DE FREITAS MARTINS, ERNANE; PINOTTI, LUIS FRANCISCO; CASTRO SILVA, CECILIA DE CARVALHO; ROCHA, ALEXANDRE REILY. Addressing the Theoretical and Experimental Aspects of Low-Dimensional-Materials-Based FET Immunosensors: A Review. CHEMOSENSORS, v. 9, n. 7, . (17/02317-2, 16/01343-7)
ALBANO, LUIZ G. S.; DE CAMARGO, DAVI H. S.; SCHLEDER, GABRIEL R.; DEEKE, SAMANTHA G.; VELLO, TATIANA P.; PALERMO, LEIRSON D.; CORREA, CATIA C.; FAZZIO, ADALBERTO; WOELL, CHRISTOF; BUFON, CARLOS C. B.. Room-Temperature Negative Differential Resistance in Surface-Supported Metal-Organic Framework Vertical Heterojunctions. SMALL, v. 17, n. 35, . (17/18139-6, 14/25979-2, 16/25346-5, 14/50906-9, 19/01561-2, 17/02317-2, 17/25553-3)
MUTISYA, SYLVIA M.; DE ALMEIDA, JAMES M.; MIRANDA, CAETANO R.. Probing the dynamics of water over multiple pore scales in cement by atomistic simulations. Applied Surface Science, v. 565, . (17/02317-2)
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DE ALMEIDA, RAFAEL M.; FERRARI, VICTORIA C.; SOUZA, JULIANA DOS S.; SOUZA, FLAVIO L.; ALVES, WENDEL A.. Tailoring a Zinc Oxide Nanorod Surface by Adding an Earth-Abundant Cocatalyst for Induced Sunlight Water Oxidation. ChemPhysChem, v. 21, n. 6, p. 476-483, . (14/50867-3, 17/02317-2)
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RODRIGUEZ-GUTIERREZ, INGRID; SOUZA JUNIOR, JOAO B.; LEITE, EDSON R.; VAYSSIERES, LIONEL; SOUZA, FLAVIO L.. An intensity modulated photocurrent spectroscopy study of the role of titanium in thick hematite photoanodes. Applied Physics Letters, v. 119, n. 7, . (19/06654-9, 17/11986-5, 13/07296-2, 17/02317-2)
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TOFANELLO, ARYANE; BELLETI, ELISANGELA; BRITO, ADRIANNE M. M.; NANTES-CARDOSO, ISELI L.. Photodegradation of Ciprofloxacin-Zinc Complexes Produced at the Interface of ZnO and Cu-Doped ZnO Crystals. MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS, v. 24, n. 6, . (17/02317-2)
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DE SOUZA MELO, BRUNO MAX; DA SILVA, LUIS G. G. V. DIAS; ROCHA, ALEXANDRE REILY; LEWENKOPF, CAIO. Quantitative comparison of Anderson impurity solvers applied to transport in quantum dots. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 32, n. 9, . (16/01343-7, 16/18495-4, 17/02317-2)
FERRARI, VICTORIA C.; ALVIM, RAPHAEL S.; DE QUEIROZ, THIAGO B.; DALPIAN, GUSTAVO M.; SOUZA, FLAVIO L.. Controlling the Activation Energy for Single-Ion Diffusion through a Hybrid Polyelectrolyte Matrix by Manipulating the Central Coordinate Semimetal Atom. Journal of Physical Chemistry Letters, v. 10, n. 24, p. 7684-7689, . (17/02317-2, 13/07296-2)
FREITAS, ANDRE L. M.; TOFANELLO, ARYANE; BONADIO, ARIANY; SOUZA, JOSE A.. Unraveling the effect of mixed charge carrier on the electrical conductivity in MAPbBr(3) perovskite due to ions incorporation. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, v. 33, n. 23, p. 18-pg., . (18/14181-0, 17/02317-2, 18/15682-3, 20/09563-1, 21/11446-6)
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