XVIII Brazil MRS Meeting

Symposium S Computational Design for Development of Functional Materials - Synergy Between Theoreticians and Experimentalists

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13:00 17:00	Young's Researchers School: How to Produce and Publish High Impact Papers Prof. Dr. Valtencir Zucolotto; Instituto de Física de São Carlos - USP and ELSEVIER
19:30 20:00	Opening Ceremony
20:00 21:00	Memorial Lecture ML.D1.1 20:00 - 21:00 4HW4 - Cristalografia no Brasil: origem e panorama atual Yvonne P. Mascarenhas Room: Event pavilion ML.D1.1 Cristalografia no Brasil: origem e panorama atual 20:00 - 21:00 Authors: Yvonne P. Mascarenhas Presenter: MASCARENHAS, Y. P. - Room: Event pavilion
21:00 22:00	Welcome Cocktail

08:15 09:15	Plenary Lecture PL.1.D1.1 08:15 - 09:15 4HWG - Watching Flowers Through a Silicon Glass Stefano Baroni Room: Mediterrâneo PL.1.D1.1 Watching Flowers Through a Silicon Glass 08:15 - 09:15 Authors: Stefano Baroni Presenter: BARONI, S. - Room: Mediterrâneo
09:30 10:30	1st Oral Session S.O1.D1.1 09:30 - 10:15 4HX4 - Femtosecond laser irradiation-induced structural organization and crystallinity of Bi-based semiconductors (Invited Lecture) Elson Longo Room: Mariscal Lateral S.O1.D1.1 Femtosecond laser irradiation-induced structural organization and crystallinity of Bi-based semiconductors (Invited Lecture) 09:30 - 10:15 Authors: Elson Longo Presenter: LONGO, E. - Room: Mariscal Lateral S.O1.D1.2 10:15 - 10:30 4F46 - Environmental effects on the geometry of ZnO nanoparticles: multiscale-guided Wulff construction Antônio Manesco; Elton José Figueiredo de Carvalho; Gabrielle Weber; Eduardo Rezende Triboni Room: Mariscal Lateral S.O1.D1.2 Environmental effects on the geometry of ZnO nanoparticles: multiscale-guided Wulff construction 10:15 - 10:30 Authors: Antônio Manesco; Elton José Figueiredo de Carvalho; Gabrielle Weber; Eduardo Rezende Triboni Presenter: CARVALHO, E. J. - Room: Mariscal Lateral
10:30 11:00	Coffee Break
11:00 12:00	2nd Oral Session S.O2.D1.1 11:00 - 11:15 4EZF - Multifunctional Nanostructured Co-doped ZnO: The Co Spatial Distribution and the Correlated Magnetic Properties Rafael Tomaz Silva; Alexandre Mesquita; Angela Ortiz de Zevallos; Thalita Chiaramonte; Xavier Gratens; Valmir Antonio Chitta; Juliana Maria Abreu da Silva Morbec; Gul Rahman; Victor Manuel García-Suárez; Antonio Carlos Doriguetto; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Room: Mariscal Lateral S.O2.D1.1 Multifunctional Nanostructured Co-doped ZnO: The Co Spatial Distribution and the Correlated Magnetic Properties 11:00 - 11:15 Authors: Rafael Tomaz Silva; Alexandre Mesquita; Angela Ortiz de Zevallos; Thalita Chiaramonte; Xavier Gratens; Valmir Antonio Chitta; Juliana Maria Abreu da Silva Morbec; Gul Rahman; Victor Manuel García-Suárez; Antonio Carlos Doriguetto; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Presenter: DA SILVA, R. T. - Room: Mariscal Lateral S.O2.D1.2 11:15 - 11:30 4EC2 - Porphyrin dyes supported on ZnO(1010) and a-TiO₂(101) surfaces: Electronic and optical properties from ab initio calculations Walter Orellana Room: Mariscal Lateral S.O2.D1.2 Porphyrin dyes supported on ZnO(1010) and a-TiO₂(101) surfaces: Electronic and optical properties from ab initio calculations 11:15 - 11:30 Authors: Walter Orellana Presenter: ORELLANA, W. - Room: Mariscal Lateral S.O2.D1.4 11:45 - 12:00 4HP6 - Morphology and the photocatalytic activity: there is a big deal? Amanda Fernandes Gouveia; Laécio Santos Cavalcante; Juan Andrés; Elson Longo; Miguel A. San-Miguel Room: Mariscal Lateral S.O2.D1.4 Morphology and the photocatalytic activity: there is a big deal? 11:45 - 12:00 Authors: Amanda Fernandes Gouveia; Laécio Santos Cavalcante; Juan Andrés; Elson Longo; Miguel A. San-Miguel Presenter: GOUVEIA, A. F. - Room: Mariscal Lateral
12:30 14:00	Lunch
14:00 16:15	3rd Oral Session S.O3.D1.1 14:00 - 14:45 4DXE - Functionalization of two-dimensional nanostrutures with organic molecules (Invited Lecture) Andreia Luisa da Rosa; Flávio Bento de Oliveira; Erika Nascimento Lima; Renato Borges Pontes; Tome Mauro Schmidt; Mauricio Chagas Silva; Thomas Frauenheim Room: Mariscal Lateral S.O3.D1.1 Functionalization of two-dimensional nanostrutures with organic molecules (Invited Lecture) 14:00 - 14:45 Authors: Andreia Luisa da Rosa; Flávio Bento de Oliveira; Erika Nascimento Lima; Renato Borges Pontes; Tome Mauro Schmidt; Mauricio Chagas Silva; Thomas Frauenheim Presenter: DA ROSA, A. L. - Room: Mariscal Lateral S.O3.D1.2 14:45 - 15:00 4DTM - Mechanical and electronic properties of carbon nanothreads: elucidating the role of unsaturations and nitrogen doping Pedro G. Demingos; André R. Muniz Room: Mariscal Lateral S.O3.D1.2 Mechanical and electronic properties of carbon nanothreads: elucidating the role of unsaturations and nitrogen doping 14:45 - 15:00 Authors: Pedro G. Demingos; André R. Muniz Presenter: DEMINGOS, P. G. - Room: Mariscal Lateral S.O3.D1.3 15:00 - 15:15 4EDM - Effective model for Majorana modes in graphene Antônio Manesco; Durval Rodrigues Jr.; Gabrielle Weber Room: Mariscal Lateral S.O3.D1.3 Effective model for Majorana modes in graphene 15:00 - 15:15 Authors: Antônio Manesco; Durval Rodrigues Jr.; Gabrielle Weber Presenter: WEBER, G. - Room: Mariscal Lateral S.O3.D1.4 15:15 - 15:30 4FWV - Computational screening of bulk materials with intermediate bands Gustavo Martini Dalpian; Douglas José Ribeiro Baquião Room: Mariscal Lateral S.O3.D1.4 Computational screening of bulk materials with intermediate bands 15:15 - 15:30 Authors: Gustavo Martini Dalpian; Douglas José Ribeiro Baquião Presenter: DALPIAN, G. M. - Room: Mariscal Lateral S.O3.D1.5 15:30 - 16:15 4FZK - Carbonates: acoustic velocities, stability, and phase diagrams (Invited Lecture) Lucy V. Credidio Assali; Joao Francisco Justo; Michel Lacerda Marcondes Santos; Samuel Silva Santos Room: Mariscal Lateral S.O3.D1.5 Carbonates: acoustic velocities, stability, and phase diagrams (Invited Lecture) 15:30 - 16:15 Authors: Lucy V. Credidio Assali; Joao Francisco Justo; Michel Lacerda Marcondes Santos; Samuel Silva Santos Presenter: ASSALI, L. V. - Room: Mariscal Lateral
16:15 16:45	Coffee Break
16:45 17:45	Plenary Lecture PL.2.D1.1 16:45 - 17:45 4HWF - Hybrid inorganic/organic semiconductor structures for opto-electronics Norbert Koch Room: Mediterrâneo PL.2.D1.1 Hybrid inorganic/organic semiconductor structures for opto-electronics 16:45 - 17:45 Authors: Norbert Koch Presenter: KOCH, N. - Room: Mediterrâneo

08:15 09:15	Plenary Lecture PL.3.D2.1 08:15 - 09:15 4HWA - Sirius: The New Brazilian Synchrotron Light Source Antônio Roque Da Silva Room: Mediterrâneo PL.3.D2.1 Sirius: The New Brazilian Synchrotron Light Source 08:15 - 09:15 Authors: Antônio Roque Da Silva Presenter: DA SILVA, A. R. - Room: Mediterrâneo
09:30 10:30	1st Oral Session S.O1.D2.1 09:30 - 10:15 4HWX - Topological quantization and gauge invariance of charge transport in liquid insulators (Invited Lecture) Stefano Baroni Room: Mariscal Lateral S.O1.D2.1 Topological quantization and gauge invariance of charge transport in liquid insulators (Invited Lecture) 09:30 - 10:15 Authors: Stefano Baroni Presenter: BARONI, S. - Room: Mariscal Lateral S.O1.D2.2 10:15 - 10:30 4G6X - Carbon-fibre composites with graphene filler for enhanced properties Ragnar Larsson; Brina Blinzler; Linnea Selegård; Danilo Justino Carastan Room: Mariscal Lateral S.O1.D2.2 Carbon-fibre composites with graphene filler for enhanced properties 10:15 - 10:30 Authors: Ragnar Larsson; Brina Blinzler; Linnea Selegård; Danilo Justino Carastan Presenter: LARSSON, R. - Room: Mariscal Lateral
10:30 11:00	Coffee Break
11:00 12:00	2nd Oral Session S.O2.D2.1 11:00 - 11:15 4FP6 - First principles study of polarons using many-body X-ray absorption spectroscopy Sebastian Eduardo Reyes-Lillo; David Prendergast Room: Mariscal Lateral S.O2.D2.1 First principles study of polarons using many-body X-ray absorption spectroscopy 11:00 - 11:15 Authors: Sebastian Eduardo Reyes-Lillo; David Prendergast Presenter: REYES-LILLO, S. E. - Room: Mariscal Lateral S.O2.D2.2 11:15 - 11:30 4FZJ - Cationic substitution of LSCF to enhance solid oxide fuel cells performances cecile autret-lambert; daniela Neasca; houssem guessmi; Mohamed El Amrani; Sonia Didry; Rodolphe Sopracase; Vinh Ta-Phuoc; François Gervais Room: Mariscal Lateral S.O2.D2.2 Cationic substitution of LSCF to enhance solid oxide fuel cells performances 11:15 - 11:30 Authors: cecile autret-lambert; daniela Neasca; houssem guessmi; Mohamed El Amrani; Sonia Didry; Rodolphe Sopracase; Vinh Ta-Phuoc; François Gervais Presenter: AUTRET, C. - Room: Mariscal Lateral S.O2.D2.3 11:30 - 11:45 4HPE - Synthesis and characterization of ZnO-MgO-NiO-CoO-CuO high entropy oxides Valmor Roberto Mastelaro; Amandine Ganzin; Maria Ines Basso Bernardi Room: Mariscal Lateral S.O2.D2.3 Synthesis and characterization of ZnO-MgO-NiO-CoO-CuO high entropy oxides 11:30 - 11:45 Authors: Valmor Roberto Mastelaro; Amandine Ganzin; Maria Ines Basso Bernardi Presenter: MASTELARO, V. R. - Room: Mariscal Lateral S.O2.D2.4 11:45 - 12:00 4FTH - Core-shell design to improve nanomaterials for industrial applications De Almeida Sonia; Meledje nomel; Cécile Autret; Anthony Lucas; François Pacreau; François Gervais Room: Mariscal Lateral S.O2.D2.4 Core-shell design to improve nanomaterials for industrial applications 11:45 - 12:00 Authors: De Almeida Sonia; Meledje nomel; Cécile Autret; Anthony Lucas; François Pacreau; François Gervais Presenter: SONIA, D. A. - Room: Mariscal Lateral
12:00 14:00	Material bonds: Brazilian-German exchanges in Material Research (Research in Germany)
12:30 14:00	Lunch
14:00 16:15	3rd Oral Session S.O3.D2.1 14:00 - 14:15 4G6Y - Ethanol Adsorption on Core@Pt-Shell Nanoparticles Vagner Alexandre Rigo; Caetano Rodrigues Miranda; Francesca Baletto Room: Mariscal Lateral S.O3.D2.1 Ethanol Adsorption on Core@Pt-Shell Nanoparticles 14:00 - 14:15 Authors: Vagner Alexandre Rigo; Caetano Rodrigues Miranda; Francesca Baletto Presenter: RIGO, V. A. - Room: Mariscal Lateral S.O3.D2.2 14:15 - 14:30 4HAK - Adsorption studies of organic molecules onto carbonates using first principles calculations Michele Aparecida Salvador; Caetano Rodrigues Miranda Room: Mariscal Lateral S.O3.D2.2 Adsorption studies of organic molecules onto carbonates using first principles calculations 14:15 - 14:30 Authors: Michele Aparecida Salvador; Caetano Rodrigues Miranda Presenter: SALVADOR, M. A. - Room: Mariscal Lateral S.O3.D2.3 14:30 - 14:45 4GJD - Analysis of amino acid pyrolysis under high pressure using reactive molecular dynamics simulations Augusto Mohr Christmann; Alan A Chequim; María Alexandra Puerto Medina; Naira Maria Balzaretti; André R. Muniz Room: Mariscal Lateral S.O3.D2.3 Analysis of amino acid pyrolysis under high pressure using reactive molecular dynamics simulations 14:30 - 14:45 Authors: Augusto Mohr Christmann; Alan A Chequim; María Alexandra Puerto Medina; Naira Maria Balzaretti; André R. Muniz Presenter: CHRISTMANN, A. M. - Room: Mariscal Lateral S.O3.D2.4 14:45 - 15:00 4FGV - A meta-heuristic for classical atomistic and coarse-grained force field parameterization Jhonat Heberson Avelino de Souza; Elton José Figueiredo de Carvalho Room: Mariscal Lateral S.O3.D2.4 A meta-heuristic for classical atomistic and coarse-grained force field parameterization 14:45 - 15:00 Authors: Jhonat Heberson Avelino de Souza; Elton José Figueiredo de Carvalho Presenter: CARVALHO, E. J. - Room: Mariscal Lateral S.O3.D2.5 15:00 - 15:15 4GMB - Sodium tantalate NaTa-O₂ terminated orthorhombic surface: an intrinsically enhanced water-splitting system Guilherme Ribeiro Portugal; Sydney Ferreira Santos; Jeverson Teodoro Arantes Room: Mariscal Lateral S.O3.D2.5 Sodium tantalate NaTa-O₂ terminated orthorhombic surface: an intrinsically enhanced water-splitting system 15:00 - 15:15 Authors: Guilherme Ribeiro Portugal; Sydney Ferreira Santos; Jeverson Teodoro Arantes Presenter: PORTUGAL, G. R. - Room: Mariscal Lateral S.O3.D2.6 15:15 - 15:30 4FAP - Biomass-derived catalysts for dehydrogenative coupling of silanes with alcohols Iván Sorribes; David Ventura-Espinosa; Marcelo de Assis de Assis; Jose A. Mata; Elson Longo; Juan Andrés Room: Mariscal Lateral S.O3.D2.6 Biomass-derived catalysts for dehydrogenative coupling of silanes with alcohols 15:15 - 15:30 Authors: Iván Sorribes; David Ventura-Espinosa; Marcelo de Assis de Assis; Jose A. Mata; Elson Longo; Juan Andrés Presenter: SORRIBES, I. - Room: Mariscal Lateral S.O3.D2.7 15:30 - 16:15 4HXB - Theoretical study of the interaction of gas phase molecules on 3D metal organic structures (MOF) (Invited Lecture) Rafael Añez Room: Mariscal Lateral S.O3.D2.7 Theoretical study of the interaction of gas phase molecules on 3D metal organic structures (MOF) (Invited Lecture) 15:30 - 16:15 Authors: Rafael Añez Presenter: AÑES, R. - Room: Mariscal Lateral
16:15 16:45	Coffee Break
16:45 17:45	Plenary Lecture PL.4.D2.1 16:45 - 17:45 4HWC - Bioinspired strategies for bone regeneration Maria Pau Ginebra Room: Mediterrâneo PL.4.D2.1 Bioinspired strategies for bone regeneration 16:45 - 17:45 Authors: Maria Pau Ginebra Presenter: GINEBRA, M. P. - Room: Mediterrâneo

08:15 09:15	Plenary Lecture PL.5.D3.1 08:15 - 09:15 4HWB - Materials by Design: Three-Dimensional Nano-Architected Meta-Materials Julia r Greer Room: Mediterrâneo PL.5.D3.1 Materials by Design: Three-Dimensional Nano-Architected Meta-Materials 08:15 - 09:15 Authors: Julia r Greer Presenter: GREER, J. R. - Room: Mediterrâneo
10:30 11:00	Coffee Break
11:00 12:30	5th Poster Session S.P5.1 11:00 - 12:30 4EYH - Analysis of Co incorporation into ZnO matrix and grain grown dynamics of nanostructured samples processed via mechanical milling Rafael Tomaz Silva; Hugo Bonette de Carvalho Room: Adriático S.P5.1 Analysis of Co incorporation into ZnO matrix and grain grown dynamics of nanostructured samples processed via mechanical milling 11:00 - 12:30 Authors: Rafael Tomaz Silva; Hugo Bonette de Carvalho Presenter: DA SILVA, R. T. - Room: Adriático S.P5.2 11:00 - 12:30 4F2D - Studies on the Mn incorporation into the wurtzite ZnO structure via solid state reaction: Functionalization via defect engineering Viviane Maciel Almeida; Felipe dos Santos Vieira; Rafael Tomaz Silva; Alexandre Mesquita; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Room: Adriático S.P5.2 Studies on the Mn incorporation into the wurtzite ZnO structure via solid state reaction: Functionalization via defect engineering 11:00 - 12:30 Authors: Viviane Maciel Almeida; Felipe dos Santos Vieira; Rafael Tomaz Silva; Alexandre Mesquita; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Presenter: ALMEIDA, V. M. - Room: Adriático S.P5.3 11:00 - 12:30 4FD4 - Displacement fields and shear bands in Cu-Zr-Al metallic glasses Alejandro Zuniga; Marcela Bergamaschi Tercini; Roberto Gomes de Aguiar Veiga Room: Adriático S.P5.3 Displacement fields and shear bands in Cu-Zr-Al metallic glasses 11:00 - 12:30 Authors: Alejandro Zuniga; Marcela Bergamaschi Tercini; Roberto Gomes de Aguiar Veiga Presenter: VEIGA, R. G. - Room: Adriático S.P5.4 11:00 - 12:30 4EAZ - Si and Ge (111) surface electronic structure Alexandre Olivieri Kraus; Humberto Naoyuki Yoshimura; Jeverson Teodoro Arantes Room: Adriático S.P5.4 Si and Ge (111) surface electronic structure 11:00 - 12:30 Authors: Alexandre Olivieri Kraus; Humberto Naoyuki Yoshimura; Jeverson Teodoro Arantes Presenter: KRAUS, A. O. - Room: Adriático S.P5.5 11:00 - 12:30 4DVQ - Cationic exchange in polymerized magnesium and cadmium sulphides Alexandro Amorim Linhares; Miguel Henrique Boratto; André Avelino Pasa Room: Adriático S.P5.5 Cationic exchange in polymerized magnesium and cadmium sulphides 11:00 - 12:30 Authors: Alexandro Amorim Linhares; Miguel Henrique Boratto; André Avelino Pasa Presenter: LINHARES, A. A. - Room: Adriático S.P5.6 11:00 - 12:30 4DXR - Exploring Surface Effects in Transition-metal Doped ZnO Nanowires With Hybrid‐Density Functional Theory Andreia Luisa da Rosa; Leticia Lira Tacca; Thomas Frauenheim; Dennis Franke Room: Adriático S.P5.6 Exploring Surface Effects in Transition-metal Doped ZnO Nanowires With Hybrid‐Density Functional Theory 11:00 - 12:30 Authors: Andreia Luisa da Rosa; Leticia Lira Tacca; Thomas Frauenheim; Dennis Franke Presenter: DA ROSA, A. L. - Room: Adriático S.P5.7 11:00 - 12:30 4GPC - Theoretical Studies on Diffusion of Silver Atoms in β-Ag₂WO₄ by in Situ Electron Beam irradiation André Rodrigues Pinheiro; Edison Zacarias da Silva; Juan Andres; Elson Longo; Miguel A. San-Miguel Room: Adriático S.P5.7 Theoretical Studies on Diffusion of Silver Atoms in β-Ag₂WO₄ by in Situ Electron Beam irradiation 11:00 - 12:30 Authors: André Rodrigues Pinheiro; Edison Zacarias da Silva; Juan Andres; Elson Longo; Miguel A. San-Miguel Presenter: PINHEIRO, A. R. - Room: Adriático S.P5.8 11:00 - 12:30 4FWG - Polypyrrole derivatives for optoelectronic applications: a DFT study on the influence of side groups Alex Pifer Coleone; Leonardo Gois Lascane; Augusto Batagin-Neto Room: Adriático S.P5.8 Polypyrrole derivatives for optoelectronic applications: a DFT study on the influence of side groups 11:00 - 12:30 Authors: Alex Pifer Coleone; Leonardo Gois Lascane; Augusto Batagin-Neto Presenter: BATAGIN-NETO, A. - Room: Adriático S.P5.9 11:00 - 12:30 4H2B - Computational Analysis of poly(ether-imide) Pyrolysis toward carbon membrane production Augusto Mohr Christmann; Janice B.S. Hamm; Liliane Damaris Pollo; Nilson Romeu Marcilio; Isabel Cristina Tessaro; André R. Muniz Room: Adriático S.P5.9 Computational Analysis of poly(ether-imide) Pyrolysis toward carbon membrane production 11:00 - 12:30 Authors: Augusto Mohr Christmann; Janice B.S. Hamm; Liliane Damaris Pollo; Nilson Romeu Marcilio; Isabel Cristina Tessaro; André R. Muniz Presenter: CHRISTMANN, A. M. - Room: Adriático S.P5.10 11:00 - 12:30 4GXP - A DFT and EHT Study in Systems Based on Fe, Ni, Se and Te. Jorge Luiz Pimentel Júnior; José de Ribamar Ribeiro Costa Masculino Maria Amabilias Soares Costa Room: Adriático S.P5.10 A DFT and EHT Study in Systems Based on Fe, Ni, Se and Te. 11:00 - 12:30 Authors: Jorge Luiz Pimentel Júnior; José de Ribamar Ribeiro Costa Masculino Maria Amabilias Soares Costa Presenter: COSTA, A. N. - Room: Adriático S.P5.11 11:00 - 12:30 4FBM - Theoretical and experimental evaluation of the Molecularly Imprinted Polymer (MIP) synthesis for triclosan adsorption Camila Santos Dourado; Fabiana Casarin; Daniel Francisco Scalabrini Machado; Jez Willian Batista Braga; ANA CRISTI BASILE DIAS Room: Adriático S.P5.11 Theoretical and experimental evaluation of the Molecularly Imprinted Polymer (MIP) synthesis for triclosan adsorption 11:00 - 12:30 Authors: Camila Santos Dourado; Fabiana Casarin; Daniel Francisco Scalabrini Machado; Jez Willian Batista Braga; ANA CRISTI BASILE DIAS Presenter: DOURADO, C. S. - Room: Adriático S.P5.12 11:00 - 12:30 4GRR - Theoretical investigation of silver nanoparticles growth on the Ag₃PO₄ surfaces stimulated by electron beam. Carlos Eduardo Silva; Edison Zacarias da Silva; Juan Andrés; Elson Longo; Miguel A. San-Miguel Room: Adriático S.P5.12 Theoretical investigation of silver nanoparticles growth on the Ag₃PO₄ surfaces stimulated by electron beam. 11:00 - 12:30 Authors: Carlos Eduardo Silva; Edison Zacarias da Silva; Juan Andrés; Elson Longo; Miguel A. San-Miguel Presenter: SILVA, C. E. - Room: Adriático S.P5.13 11:00 - 12:30 4HTM - PEDOT:PSS/AgNW thin fteilms by spin coating technique for polymer solar cells application Eduardo Lima Costa; Carlos Eduardo Cava; Edvani Curti Muniz Room: Adriático S.P5.13 PEDOT:PSS/AgNW thin fteilms by spin coating technique for polymer solar cells application 11:00 - 12:30 Authors: Eduardo Lima Costa; Carlos Eduardo Cava; Edvani Curti Muniz Presenter: COSTA, E. L. - Room: Adriático S.P5.14 11:00 - 12:30 4HNZ - High throughput screening and discovery of compounds with Giant Rashba splitting Elton Ogoshi de Melo; CARLOS MERA; Gustavo Martini Dalpian Room: Adriático S.P5.14 High throughput screening and discovery of compounds with Giant Rashba splitting 11:00 - 12:30 Authors: Elton Ogoshi de Melo; CARLOS MERA; Gustavo Martini Dalpian Presenter: DE MELO, E. O. - Room: Adriático S.P5.15 11:00 - 12:30 4HJR - Photoelectrochemical study of mesoporous hematite thin film decorated with Bi nanoparticles as light scattering centers Fabrício Benedito Destro; Marcelo Antonio Donizetti Martinho; Cipriano Benedito Gozzo; Mario Rodrigo dos Santos Soares; Marco Aurélio Liutheviciene Cordeiro; Edson Roberto Leite Room: Adriático S.P5.15 Photoelectrochemical study of mesoporous hematite thin film decorated with Bi nanoparticles as light scattering centers 11:00 - 12:30 Authors: Fabrício Benedito Destro; Marcelo Antonio Donizetti Martinho; Cipriano Benedito Gozzo; Mario Rodrigo dos Santos Soares; Marco Aurélio Liutheviciene Cordeiro; Edson Roberto Leite Presenter: DESTRO, F. B. - Room: Adriático S.P5.16 11:00 - 12:30 4ENG - Study of the acid and reduction properties of Fe-M/ZSM-5 (M = Cu, Zr) using TPD-NH₃, TPR-H₂ and DFT calculations Felipe Girondi Denardin; Andre R. Muniz; Oscar William Perez Lopez Room: Adriático S.P5.16 Study of the acid and reduction properties of Fe-M/ZSM-5 (M = Cu, Zr) using TPD-NH₃, TPR-H₂ and DFT calculations 11:00 - 12:30 Authors: Felipe Girondi Denardin; Andre R. Muniz; Oscar William Perez Lopez Presenter: DENARDIN, F. G. - Room: Adriático S.P5.17 11:00 - 12:30 4F4F - Theoretical Assessment of Photoexcitation and Electron Beam Irradiation Effects on Ag₃PO₄ Photocatalytic Properties Felipe Lipsky Gonzalez; Elson Longo; Juan Andrés; Miguel A. San-Miguel Room: Adriático S.P5.17 Theoretical Assessment of Photoexcitation and Electron Beam Irradiation Effects on Ag₃PO₄ Photocatalytic Properties 11:00 - 12:30 Authors: Felipe Lipsky Gonzalez; Elson Longo; Juan Andrés; Miguel A. San-Miguel Presenter: GONZALEZ, F. L. - Room: Adriático S.P5.18 11:00 - 12:30 4FZ4 - Numerical model of prediction of mechanical properties for duplex stainless steel aged at 800 °C, due to the appearance of the sigma phase Fernanda Nascimento Moreira; Ana Gabriella Conceição dos Santos; Weslley Luiz da Silva Assis Room: Adriático S.P5.18 Numerical model of prediction of mechanical properties for duplex stainless steel aged at 800 °C, due to the appearance of the sigma phase 11:00 - 12:30 Authors: Fernanda Nascimento Moreira; Ana Gabriella Conceição dos Santos; Weslley Luiz da Silva Assis Presenter: DOS SANTOS, A. C. - Room: Adriático S.P5.19 11:00 - 12:30 4DYB - Atomic and electronic properties of functionalized germanene Flávio Bento de Oliveira; Andreia Luisa da Rosa; Erika Nascimento Lima; Thomas Frauenheim Room: Adriático S.P5.19 Atomic and electronic properties of functionalized germanene 11:00 - 12:30 Authors: Flávio Bento de Oliveira; Andreia Luisa da Rosa; Erika Nascimento Lima; Thomas Frauenheim Presenter: BENTO DE OLIVEIRA, F. B. - Room: Adriático S.P5.20 11:00 - 12:30 4GSN - Calcite/brine Interfacial Free Energy Calculations: Applications on Enhanced Oil Recovery Gabriela Dias da Silva; James Moraes de Almeida; Alexsandro Kirch; Caetano Rodrigues Miranda Room: Adriático S.P5.20 Calcite/brine Interfacial Free Energy Calculations: Applications on Enhanced Oil Recovery 11:00 - 12:30 Authors: Gabriela Dias da Silva; James Moraes de Almeida; Alexsandro Kirch; Caetano Rodrigues Miranda Presenter: DA SILVA, G. D. - Room: Adriático S.P5.21 11:00 - 12:30 4GDG - First-Principles Study of the Polyol Electro-Oxidation Reaction on Pt Surfaces Gabriela Volpini Soffiati; Edison Zacarias da Silva; Miguel Angel San-Miguel Room: Adriático S.P5.21 First-Principles Study of the Polyol Electro-Oxidation Reaction on Pt Surfaces 11:00 - 12:30 Authors: Gabriela Volpini Soffiati; Edison Zacarias da Silva; Miguel Angel San-Miguel Presenter: VOLPINI SOFFIATI, G. - Room: Adriático S.P5.22 11:00 - 12:30 4GCR - Electronic properties of single and double-walled nanotubes of AlN and GaN under strain effects Giovanne Bruno Mantovani Pinhal; Naiara Letícia Marana; Julio Ricardo Sambrano Room: Adriático S.P5.22 Electronic properties of single and double-walled nanotubes of AlN and GaN under strain effects 11:00 - 12:30 Authors: Giovanne Bruno Mantovani Pinhal; Naiara Letícia Marana; Julio Ricardo Sambrano Presenter: MANTOVANI PINHAL, G. B. - Room: Adriático S.P5.23 11:00 - 12:30 4GZV - Structural, electronic and piezoelastic properties of porous silicene and silicenylene nanotubes Guilherme da Silva Lopes Fabris; José Artigas dos Santos Laranjeira; Julio Ricardo Sambrano Room: Adriático S.P5.23 Structural, electronic and piezoelastic properties of porous silicene and silicenylene nanotubes 11:00 - 12:30 Authors: Guilherme da Silva Lopes Fabris; José Artigas dos Santos Laranjeira; Julio Ricardo Sambrano Presenter: FABRIS, G. D. - Room: Adriático S.P5.24 11:00 - 12:30 4FGD - Theoretical studies of the structural, electronic and morphologic properties of the NaNbO₃ perovskites Heitor Secco Seleghini; Douglas Henrique Pereira; Elson Longo; Juan Andrés; Miguel Angel San-Miguel Room: Adriático S.P5.24 Theoretical studies of the structural, electronic and morphologic properties of the NaNbO₃ perovskites 11:00 - 12:30 Authors: Heitor Secco Seleghini; Douglas Henrique Pereira; Elson Longo; Juan Andrés; Miguel Angel San-Miguel Presenter: SELEGHINI, H. S. - Room: Adriático S.P5.25 11:00 - 12:30 4EZH - Preparation and structural characterization of nanostructured multifunctional co-doped ZnO:Mn:Zr oxide Isabella Silva de Souza; Hugo Bonette de Carvalho Room: Adriático S.P5.25 Preparation and structural characterization of nanostructured multifunctional co-doped ZnO:Mn:Zr oxide 11:00 - 12:30 Authors: Isabella Silva de Souza; Hugo Bonette de Carvalho Presenter: DE CARVALHO, H. B. - Room: Adriático S.P5.26 11:00 - 12:30 4EW2 - Defect Induced Room Temperature Ferromagnetism in Co-doped ZnO Bulk Samples Marcio Peron Franco de Godoy; Valmir Antonio Chitta; Alexandre Mesquita; Maurício Morais de Lima Jr.; Andres Cantarero; Juliana Maria Abreu da Silva Morbec; Gul Rahman; Hugo Bonette de Carvalho Room: Adriático S.P5.26 Defect Induced Room Temperature Ferromagnetism in Co-doped ZnO Bulk Samples 11:00 - 12:30 Authors: Marcio Peron Franco de Godoy; Valmir Antonio Chitta; Alexandre Mesquita; Maurício Morais de Lima Jr.; Andres Cantarero; Juliana Maria Abreu da Silva Morbec; Gul Rahman; Hugo Bonette de Carvalho Presenter: DE CARVALHO, H. B. - Room: Adriático S.P5.27 11:00 - 12:30 4EWK - Synthesis of Gd-doped SrTiO3 (Sr_1-xGd_x TiO₃): A multipurpose and functional oxide Hellen Pereira de Jesus; E. Thizay Magnavita; Rafael Tomaz Silva; Alexandre Mesquita; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Room: Adriático S.P5.27 Synthesis of Gd-doped SrTiO3 (Sr_1-xGd_x TiO₃): A multipurpose and functional oxide 11:00 - 12:30 Authors: Hellen Pereira de Jesus; E. Thizay Magnavita; Rafael Tomaz Silva; Alexandre Mesquita; Maria Ines Basso Bernardi; Hugo Bonette de Carvalho Presenter: DE CARVALHO, H. B. - Room: Adriático S.P5.28 11:00 - 12:30 4HJJ - Modeling of interdigitated electrodes for the identification of additives in biodiesel / diesel blends Inocêncio Santos Santos Neto; Pedro Y. C. de Santana; Cassio Salomão Andrade; Christian Diniz Carvalho; Allan Kardec D. B. Filho; Gilberto B. A. Filho; Luciana M. R. Alencar; Franscisco S. M. Sinfrônio Room: Adriático S.P5.28 Modeling of interdigitated electrodes for the identification of additives in biodiesel / diesel blends 11:00 - 12:30 Authors: Inocêncio Santos Santos Neto; Pedro Y. C. de Santana; Cassio Salomão Andrade; Christian Diniz Carvalho; Allan Kardec D. B. Filho; Gilberto B. A. Filho; Luciana M. R. Alencar; Franscisco S. M. Sinfrônio Presenter: SANTOS NETO, I. S. - Room: Adriático S.P5.29 11:00 - 12:30 4EFC - Host-guest complexation between ammonium pillar[5]arene and anti-tuberculosis drugs: experimental and theoretical studies Isabela Alves de Albuquerque Bessa; Tamires Soares Fernandes; Vinicius Gomes da Costa Madriaga; Luciano Tavares da Costa; Célia Machado Ronconi Room: Adriático S.P5.29 Host-guest complexation between ammonium pillar[5]arene and anti-tuberculosis drugs: experimental and theoretical studies 11:00 - 12:30 Authors: Isabela Alves de Albuquerque Bessa; Tamires Soares Fernandes; Vinicius Gomes da Costa Madriaga; Luciano Tavares da Costa; Célia Machado Ronconi Presenter: BESSA, I. A. - Room: Adriático S.P5.30 11:00 - 12:30 4EVG - Theoretical and Experimental Properties of New Ag₂SeO₃Crystals Ivo Mateus Pinatti; Ana Cristina Mora; Juan Andrés; Elson Longo; Alexandre Z. Simões Room: Adriático S.P5.30 Theoretical and Experimental Properties of New Ag₂SeO₃Crystals 11:00 - 12:30 Authors: Ivo Mateus Pinatti; Ana Cristina Mora; Juan Andrés; Elson Longo; Alexandre Z. Simões Presenter: PINATTI, I. M. - Room: Adriático S.P5.31 11:00 - 12:30 4HGM - Theoretical study of doping types n and p on single-walled boron nitride nanotubes Jeziel Rodrigues Santos; José Divino dos Santos Room: Adriático S.P5.31 Theoretical study of doping types n and p on single-walled boron nitride nanotubes 11:00 - 12:30 Authors: Jeziel Rodrigues Santos; José Divino dos Santos Presenter: SANTOS, J. R. - Room: Adriático S.P5.32 11:00 - 12:30 4HMX - Iron implantation as catalyst for oriented graphitic structures by developed Electron Beam Irradiation System (EBIS) João Paulo Campos Costa; Vinícius Teodoro; Marcelo de Assis de Assis; Jefferson Bettini; Lourdes Gracia; Juan Andrés; João Paulo Pereira Carmo; Elson Longo Room: Adriático S.P5.32 Iron implantation as catalyst for oriented graphitic structures by developed Electron Beam Irradiation System (EBIS) 11:00 - 12:30 Authors: João Paulo Campos Costa; Vinícius Teodoro; Marcelo de Assis de Assis; Jefferson Bettini; Lourdes Gracia; Juan Andrés; João Paulo Pereira Carmo; Elson Longo Presenter: COSTA, J. P. C. - Room: Adriático S.P5.33 11:00 - 12:30 4GMR - Electronic, Vibrational and Morphological Study of CaMoO₄ and CaWO₄ José Artigas dos Santos Laranjeira; Guilherme da Silva Lopes Fabris; Julio Ricardo Sambrano Room: Adriático S.P5.33 Electronic, Vibrational and Morphological Study of CaMoO₄ and CaWO₄ 11:00 - 12:30 Authors: José Artigas dos Santos Laranjeira; Guilherme da Silva Lopes Fabris; Julio Ricardo Sambrano Presenter: LARANJEIRA, J. D. - Room: Adriático S.P5.34 11:00 - 12:30 4DWC - Morphology evolution of α-Ag₂WO₄ and their photoluminescence emissions and antibacterial activities Leticia O. Laier; Marcelo de Assis de Assis; Amanda Fernandes Gouveia; Camila Cristina de Foggi; Elson Longo; Juan Andrés Room: Adriático S.P5.34 Morphology evolution of α-Ag₂WO₄ and their photoluminescence emissions and antibacterial activities 11:00 - 12:30 Authors: Leticia O. Laier; Marcelo de Assis de Assis; Amanda Fernandes Gouveia; Camila Cristina de Foggi; Elson Longo; Juan Andrés Presenter: LAIER, L. O. - Room: Adriático S.P5.35 11:00 - 12:30 4GX2 - Theoretical study of the morphological properties of PbMoO4 José Artigas dos Santos Laranjeira; Guilherme da Silva Lopes Fabris; Julio Ricardo Sambrano Room: Adriático S.P5.35 Theoretical study of the morphological properties of PbMoO4 11:00 - 12:30 Authors: José Artigas dos Santos Laranjeira; Guilherme da Silva Lopes Fabris; Julio Ricardo Sambrano Presenter: SAMBRANO, J. R. - Room: Adriático
12:00 14:00	Mastering the Art of Scientific Publication - ACS Publications' Meet the Editors
12:00 14:00	Demonstration of ANSYS Granta's materials teaching and research software
12:30 14:00	Lunch
16:15 16:45	Coffee Break
16:45 17:45	Plenary Lecture PL.6.D3.1 16:45 - 17:45 4HWE - Spin Transfer in Topological Insulator/Magnetic Insulator Bi-Layered Structures Mingzhong Wu Room: Mediterrâneo PL.6.D3.1 Spin Transfer in Topological Insulator/Magnetic Insulator Bi-Layered Structures 16:45 - 17:45 Authors: Mingzhong Wu Presenter: WU, M. - Room: Mediterrâneo
21:00 00:00	Conference Party at Green Valley Club’s Lounge

08:15 09:15	Plenary Lecture PL.7.D4.1 08:15 - 09:15 4HWD - Multifunctional Hybrid Carbon Interfaces Maurizio Prato Room: Mediterrâneo PL.7.D4.1 Multifunctional Hybrid Carbon Interfaces 08:15 - 09:15 Authors: Maurizio Prato Presenter: PRATO, M. - Room: Mediterrâneo
09:30 11:00	7th Poster Session S.P7.1 09:30 - 11:00 4GDY - Facet-Dependent Photocatalytic and Microbiological Activities of Ag₂CrO₄: Integration of Experiment and Simulation Ieda Lúcia Viana Rosa; Marcelo de Assis de Assis; Vinícius Teodoro; Camila Cristina de Foggi; João Paulo Campos Costa; Thaiane Alcarde Robeldo; Iván Sorribes; Carlos Eduardo Vergani; Carlos Eduardo Silva; Miguel A. San-Miguel; Juan Andrés; Elson Longo Room: Adriático S.P7.1 Facet-Dependent Photocatalytic and Microbiological Activities of Ag₂CrO₄: Integration of Experiment and Simulation 09:30 - 11:00 Authors: Ieda Lúcia Viana Rosa; Marcelo de Assis de Assis; Vinícius Teodoro; Camila Cristina de Foggi; João Paulo Campos Costa; Thaiane Alcarde Robeldo; Iván Sorribes; Carlos Eduardo Vergani; Carlos Eduardo Silva; Miguel A. San-Miguel; Juan Andrés; Elson Longo Presenter: ROSA, I. L. - Room: Adriático S.P7.2 09:30 - 11:00 4GD6 - Synthesis of Ag nanoparticles/AgX (X=Cl, Br, and I) heterostructures via electron beam. A novel material with enhanced photocatalytic and toxicological activity. Marcelo de Assis de Assis; Thaiane Alcarde Robeldo; Amanda Fernandes Gouveia; Camila Cristina de Foggi; Tassia Flavia Dias Castro; Ricardo Carneiro Borra; João Paulo Campos Costa; Juan Andrés; Elson Longo Room: Adriático S.P7.2 Synthesis of Ag nanoparticles/AgX (X=Cl, Br, and I) heterostructures via electron beam. A novel material with enhanced photocatalytic and toxicological activity. 09:30 - 11:00 Authors: Marcelo de Assis de Assis; Thaiane Alcarde Robeldo; Amanda Fernandes Gouveia; Camila Cristina de Foggi; Tassia Flavia Dias Castro; Ricardo Carneiro Borra; João Paulo Campos Costa; Juan Andrés; Elson Longo Presenter: ASSIS, M. - Room: Adriático S.P7.3 09:30 - 11:00 4HQF - Phase transiction of cubic BaSnO₃ under pressure Thiago Marinho Duarte; Iêda Maria Garcia dos Santos; Elson Longo; Juan Andrés; Anderson Reis Albuquerque; Lourdes Gracia; Julio Ricardo Sambrano Room: Adriático S.P7.3 Phase transiction of cubic BaSnO₃ under pressure 09:30 - 11:00 Authors: Thiago Marinho Duarte; Iêda Maria Garcia dos Santos; Elson Longo; Juan Andrés; Anderson Reis Albuquerque; Lourdes Gracia; Julio Ricardo Sambrano Presenter: ANDRÉS, J. - Room: Adriático S.P7.4 09:30 - 11:00 4G2A - Diffusion study for α-RbAg₄I₅-system at room temperature by molecular dynamics Juan Carlos Burbano; Diego Peña-Lara Room: Adriático S.P7.4 Diffusion study for α-RbAg₄I₅-system at room temperature by molecular dynamics 09:30 - 11:00 Authors: Juan Carlos Burbano; Diego Peña-Lara Presenter: BURBANO, J. C. - Room: Adriático S.P7.5 09:30 - 11:00 4FKZ - Experimental planning and optimization of the computing modeling of an anaerobic reactor manufactured in rotomolded high density polyethylene Julio Roberto Santos Bicalho; Sergio Maciel Faragasso; Pericles Andre Assis Azevedo Room: Adriático S.P7.5 Experimental planning and optimization of the computing modeling of an anaerobic reactor manufactured in rotomolded high density polyethylene 09:30 - 11:00 Authors: Julio Roberto Santos Bicalho; Sergio Maciel Faragasso; Pericles Andre Assis Azevedo Presenter: BICALHO, J. B. - Room: Adriático S.P7.6 09:30 - 11:00 4FBY - Simulation of Solvent Evaporation to Study the Morphology of an Organic Thin Film Karlisson Rodrigo de Almeida Sousa; Leandro Benatto; Luana Cristina Woulk de Menezes; Lucimara Stolz Roman; Marlus Koehler Room: Adriático S.P7.6 Simulation of Solvent Evaporation to Study the Morphology of an Organic Thin Film 09:30 - 11:00 Authors: Karlisson Rodrigo de Almeida Sousa; Leandro Benatto; Luana Cristina Woulk de Menezes; Lucimara Stolz Roman; Marlus Koehler Presenter: SOUSA, K. R. A. - Room: Adriático S.P7.7 09:30 - 11:00 4GWN - Study of the chelating effect on the synthesis of α-Ag₂WO₄ crystals prepared by the sonochemical method Lara Kelly Ribeiro; Amanda Fernandes Gouveia; Laécio Santos Cavalcante; Geraldo Eduardo Luz Junior; Elson Longo; Ieda Lúcia Viana Rosa Room: Adriático S.P7.7 Study of the chelating effect on the synthesis of α-Ag₂WO₄ crystals prepared by the sonochemical method 09:30 - 11:00 Authors: Lara Kelly Ribeiro; Amanda Fernandes Gouveia; Laécio Santos Cavalcante; Geraldo Eduardo Luz Junior; Elson Longo; Ieda Lúcia Viana Rosa Presenter: RIBEIRO, L. K. - Room: Adriático S.P7.8 09:30 - 11:00 4G4H - Spectroscopic evidence of defective species in nanostructured lanthanum (La)-doped cerium oxide (CeO₂) gas sensors Leandro Silva Rosa Rocha; Rafael Aparecido Ciola Amoresi; Thiago Marinho Duarte; Naiara Letícia Marana; Julio Ricardo Sambrano; Celso Manuel Aldao; Alexandre Z. Simões; Miguel Adolfo PONCE; Elson Longo Room: Adriático S.P7.8 Spectroscopic evidence of defective species in nanostructured lanthanum (La)-doped cerium oxide (CeO₂) gas sensors 09:30 - 11:00 Authors: Leandro Silva Rosa Rocha; Rafael Aparecido Ciola Amoresi; Thiago Marinho Duarte; Naiara Letícia Marana; Julio Ricardo Sambrano; Celso Manuel Aldao; Alexandre Z. Simões; Miguel Adolfo PONCE; Elson Longo Presenter: ROCHA, L. - Room: Adriático S.P7.9 09:30 - 11:00 4GBN - DFT simulation on cubic phase of the relaxor Ba(Zr_xTi_1−x)O₃ material Leonardo Konopaski Andreani; Sergio Ricardo de Lazaro; Luis Henrique da Silveira Lacerda; Renan Augusto Pontes Ribeiro Room: Adriático S.P7.9 DFT simulation on cubic phase of the relaxor Ba(Zr_xTi_1−x)O₃ material 09:30 - 11:00 Authors: Leonardo Konopaski Andreani; Sergio Ricardo de Lazaro; Luis Henrique da Silveira Lacerda; Renan Augusto Pontes Ribeiro Presenter: ANDREANI, L. K. - Room: Adriático S.P7.10 09:30 - 11:00 4GS2 - Synthesis and Characterization of the β-Ag₂MoO₄ by Coprecipitation Method and DMSO as solvent Lílian Cruz Santos; Mayara Mondego Teixeira; Leticia O. Laier; Vinícius Teodoro; Marcelo de Assis de Assis; Elson Longo Room: Adriático S.P7.10 Synthesis and Characterization of the β-Ag₂MoO₄ by Coprecipitation Method and DMSO as solvent 09:30 - 11:00 Authors: Lílian Cruz Santos; Mayara Mondego Teixeira; Leticia O. Laier; Vinícius Teodoro; Marcelo de Assis de Assis; Elson Longo Presenter: SANTOS, L. C. - Room: Adriático S.P7.11 09:30 - 11:00 4EQQ - Resistive Switching in Prussian Blue Thin Films Lindiomar Borges de Avila Junior; Fabrício Luiz Faita; José Pedro Bastos Silva; Maria de Jesus Matos Gomes; André Avelino Pasa Room: Adriático S.P7.11 Resistive Switching in Prussian Blue Thin Films 09:30 - 11:00 Authors: Lindiomar Borges de Avila Junior; Fabrício Luiz Faita; José Pedro Bastos Silva; Maria de Jesus Matos Gomes; André Avelino Pasa Presenter: DE AVILA JUNIOR, L. B. - Room: Adriático S.P7.12 09:30 - 11:00 4GX6 - Synthesis, Characterization and antifungal activity of Ag₂Mo_xW_x-1O₄ compounds Jussara Fratelli; Luis Henrique Cardozo Amorin; Victor Yuudi Suzuki; Gabriela Souza; Juliana Daniel; Felipe de Almeida La Porta Room: Adriático S.P7.12 Synthesis, Characterization and antifungal activity of Ag₂Mo_xW_x-1O₄ compounds 09:30 - 11:00 Authors: Jussara Fratelli; Luis Henrique Cardozo Amorin; Victor Yuudi Suzuki; Gabriela Souza; Juliana Daniel; Felipe de Almeida La Porta Presenter: AMORIN, L. H. - Room: Adriático S.P7.13 09:30 - 11:00 4FGX - Automating the computational investigation of catalytic activity of nanoparticles supported on metal oxide surfaces: a water gas shift reaction model Manoel Victor Frutuoso Barrionuevo; Miguel A. San-Miguel Room: Adriático S.P7.13 Automating the computational investigation of catalytic activity of nanoparticles supported on metal oxide surfaces: a water gas shift reaction model 09:30 - 11:00 Authors: Manoel Victor Frutuoso Barrionuevo; Miguel A. San-Miguel Presenter: BARRIONUEVO, M. V. - Room: Adriático S.P7.14 09:30 - 11:00 4HDT - Unveiling the Nature and Structure of ZnO-Bi₂O₃ Grain boundaries Marcelo Antonio Donizetti Martinho; Gabriel Dornela Alves da Rocha; Marco Aurélio Liutheviciene Cordeiro; Edson Roberto Leite Room: Adriático S.P7.14 Unveiling the Nature and Structure of ZnO-Bi₂O₃ Grain boundaries 09:30 - 11:00 Authors: Marcelo Antonio Donizetti Martinho; Gabriel Dornela Alves da Rocha; Marco Aurélio Liutheviciene Cordeiro; Edson Roberto Leite Presenter: MARTINHO, M. A. - Room: Adriático S.P7.15 09:30 - 11:00 4FKQ - CaZrO₃:Eu³⁺: Energy, electronic, morphological, geometrical and photoluminescence properties: A synergy between experimental and first-principles calculations. Marisa Carvalho Oliveira; Renan Augusto Pontes Ribeiro; Lourdes Gracia; Sergio Ricardo de Lazaro; Juan Andrés; Elson Longo; Mauricio Roberto Delmonte Bomio Room: Adriático S.P7.15 CaZrO₃:Eu³⁺: Energy, electronic, morphological, geometrical and photoluminescence properties: A synergy between experimental and first-principles calculations. 09:30 - 11:00 Authors: Marisa Carvalho Oliveira; Renan Augusto Pontes Ribeiro; Lourdes Gracia; Sergio Ricardo de Lazaro; Juan Andrés; Elson Longo; Mauricio Roberto Delmonte Bomio Presenter: LAZARO, S. R. - Room: Adriático S.P7.16 09:30 - 11:00 4FWQ - A DFT study OF fluorination effects on Exciton Binding Energy of Pi-Conjugated Donor Polymers and the ITIC Molecular Acceptor Leandro Benatto; Marlus Koehler Room: Adriático S.P7.16 A DFT study OF fluorination effects on Exciton Binding Energy of Pi-Conjugated Donor Polymers and the ITIC Molecular Acceptor 09:30 - 11:00 Authors: Leandro Benatto; Marlus Koehler Presenter: KOEHLER , M. - Room: Adriático S.P7.17 09:30 - 11:00 4GEJ - Theoretical validation of vibrational modes of BiOBr Mateus Meneghetti Ferrer; João Elias Figueiredo Soares Rodrigues; Mário Lúcio Moreira; Julio Ricardo Sambrano Room: Adriático S.P7.17 Theoretical validation of vibrational modes of BiOBr 09:30 - 11:00 Authors: Mateus Meneghetti Ferrer; João Elias Figueiredo Soares Rodrigues; Mário Lúcio Moreira; Julio Ricardo Sambrano Presenter: FERRER, M. M. - Room: Adriático S.P7.18 09:30 - 11:00 4GSB - Computational study on the degradation of the endocrine disruptor acetochlor by the hydroxyl radical Michell de Oliveira Almeida; Káthia Maria Honório; Marcos Roberto Vasconcelos Lanza Room: Adriático S.P7.18 Computational study on the degradation of the endocrine disruptor acetochlor by the hydroxyl radical 09:30 - 11:00 Authors: Michell de Oliveira Almeida; Káthia Maria Honório; Marcos Roberto Vasconcelos Lanza Presenter: DE OLIVEIRA ALMEIDA, M. - Room: Adriático S.P7.19 09:30 - 11:00 4GXK - Effect of quenching on the microstructural and magnetic properties of Co-ferrite Rafaella Casado SIlva; Giovanni Fiori Tini; Victor Yuudi Suzuki; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Patrícia Cordeiro; Jefferson Araujo; Miguel Angel Cobos Fernandez; Felipe de Almeida La Porta Room: Adriático S.P7.19 Effect of quenching on the microstructural and magnetic properties of Co-ferrite 09:30 - 11:00 Authors: Rafaella Casado SIlva; Giovanni Fiori Tini; Victor Yuudi Suzuki; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Patrícia Cordeiro; Jefferson Araujo; Miguel Angel Cobos Fernandez; Felipe de Almeida La Porta Presenter: FERNANDEZ, M. A. - Room: Adriático S.P7.20 09:30 - 11:00 4HEA - Simulation of reflection loss for multilayer radar absorbing material Miguel Angelo do Amaral Junior; Aline Fontana Batista; Rafael Cardoso Toledo; Braulio Haruo Kondo Lopes; Ana Paula Silva Oliveira; Pedro José de Castro; Mauricio Ribeiro Baldan Room: Adriático S.P7.20 Simulation of reflection loss for multilayer radar absorbing material 09:30 - 11:00 Authors: Miguel Angelo do Amaral Junior; Aline Fontana Batista; Rafael Cardoso Toledo; Braulio Haruo Kondo Lopes; Ana Paula Silva Oliveira; Pedro José de Castro; Mauricio Ribeiro Baldan Presenter: AMARAL JUNIOR, M. A. - Room: Adriático S.P7.21 09:30 - 11:00 4HEC - Simulation of reflection loss for monolayers in X, KU, K and KA bands for aeronautical and aerospace areas Miguel Angelo do Amaral Junior; Aline Fontana Batista; Rafael Cardoso Toledo; Braulio Haruo Kondo Lopes; Ana Paula Silva Oliveira; Pedro José de Castro; Mauricio Ribeiro Baldan Room: Adriático S.P7.21 Simulation of reflection loss for monolayers in X, KU, K and KA bands for aeronautical and aerospace areas 09:30 - 11:00 Authors: Miguel Angelo do Amaral Junior; Aline Fontana Batista; Rafael Cardoso Toledo; Braulio Haruo Kondo Lopes; Ana Paula Silva Oliveira; Pedro José de Castro; Mauricio Ribeiro Baldan Presenter: AMARAL JUNIOR, M. A. - Room: Adriático S.P7.22 09:30 - 11:00 4DVT - Cation-Exchange in Zn_xCd_1-xS films for Application as Switchable Memory Miguel Henrique Boratto; Alexandro Amorim Linhares; Mirko Congiu; Carlos FO Graeff; André Avelino Pasa Room: Adriático S.P7.22 Cation-Exchange in Zn_xCd_1-xS films for Application as Switchable Memory 09:30 - 11:00 Authors: Miguel Henrique Boratto; Alexandro Amorim Linhares; Mirko Congiu; Carlos FO Graeff; André Avelino Pasa Presenter: BORATTO, M. H. - Room: Adriático S.P7.23 09:30 - 11:00 4E2D - Structural defects in two-dimensional transition-metal dichalcogenides Murilo Kendjy Vieira Onita; Andreia Luisa da Rosa; Flávio Bento de Oliveira; Erika Nascimento Lima Room: Adriático S.P7.23 Structural defects in two-dimensional transition-metal dichalcogenides 09:30 - 11:00 Authors: Murilo Kendjy Vieira Onita; Andreia Luisa da Rosa; Flávio Bento de Oliveira; Erika Nascimento Lima Presenter: ONITA, M. K. - Room: Adriático S.P7.24 09:30 - 11:00 4ECK - Investigation of the growth of Ag nanoparticles on the surfaces of two different morphologies of α-Silver tungstate via SEM electron beam irradiation and their effect on the photocatalytic activity Nadia Guerra Macedo; Thales Rafael Machado; Marcelo de Assis de Assis; Román Alvarez Roca; Camila Cristina de Foggi; Verónica Puerto-Belda; Gladys Mínguez-Vega; André Rodrigues Pinheiro; Miguel A. San-Miguel; Eloísa Cordoncillo; Héctor Beltrán-MIr; Juan Andrés; Elson Longo Room: Adriático S.P7.24 Investigation of the growth of Ag nanoparticles on the surfaces of two different morphologies of α-Silver tungstate via SEM electron beam irradiation and their effect on the photocatalytic activity 09:30 - 11:00 Authors: Nadia Guerra Macedo; Thales Rafael Machado; Marcelo de Assis de Assis; Román Alvarez Roca; Camila Cristina de Foggi; Verónica Puerto-Belda; Gladys Mínguez-Vega; André Rodrigues Pinheiro; Miguel A. San-Miguel; Eloísa Cordoncillo; Héctor Beltrán-MIr; Juan Andrés; Elson Longo Presenter: MACEDO, N. G. - Room: Adriático S.P7.25 09:30 - 11:00 4FAD - ZnO nanotubes as piezoelectric gas sensor: DFT study Naiara Letícia Marana; Julio Ricardo Sambrano Room: Adriático S.P7.25 ZnO nanotubes as piezoelectric gas sensor: DFT study 09:30 - 11:00 Authors: Naiara Letícia Marana; Julio Ricardo Sambrano Presenter: MARANA, N. - Room: Adriático S.P7.26 09:30 - 11:00 4FNW - Biomimetic polymers of plant cutin: An approach from coarse-grained molecular modeling Otto Mao Vargas M. Bueno; Miguel Angel San-Miguel Room: Adriático S.P7.26 Biomimetic polymers of plant cutin: An approach from coarse-grained molecular modeling 09:30 - 11:00 Authors: Otto Mao Vargas M. Bueno; Miguel Angel San-Miguel Presenter: VARGAS M. BUENO, O. M. - Room: Adriático S.P7.27 09:30 - 11:00 4HM4 - Apollom: An automated approach to identify semiconductor properties Paulo Augusto Nardi; Fauze Ahmad Aouada; ANA Paula PAULA; Maxímo Siu Li Room: Adriático S.P7.27 Apollom: An automated approach to identify semiconductor properties 09:30 - 11:00 Authors: Paulo Augusto Nardi; Fauze Ahmad Aouada; ANA Paula PAULA; Maxímo Siu Li Presenter: NARDI, P. A. - Room: Adriático S.P7.28 09:30 - 11:00 4H2W - Modeling Small-Angle X-ray Scattering Data for DNA-Lipid Complexes: A Novel Approach Pedro Leonidas Oseliero Filho; Frédéric Nallet; Cristiano Luís Pinto de Oliveira Room: Adriático S.P7.28 Modeling Small-Angle X-ray Scattering Data for DNA-Lipid Complexes: A Novel Approach 09:30 - 11:00 Authors: Pedro Leonidas Oseliero Filho; Frédéric Nallet; Cristiano Luís Pinto de Oliveira Presenter: OSELIERO FILHO, P. L. - Room: Adriático S.P7.29 09:30 - 11:00 4HGQ - Micellar containing lipopeptides: A computational study comparing two different macrostructured assemblies Pedro Tendrih Sodré; Maurício Domingues Coutinho-Neto; Wendel Andrade Alves Room: Adriático S.P7.29 Micellar containing lipopeptides: A computational study comparing two different macrostructured assemblies 09:30 - 11:00 Authors: Pedro Tendrih Sodré; Maurício Domingues Coutinho-Neto; Wendel Andrade Alves Presenter: SODRÉ, P. T. - Room: Adriático S.P7.30 09:30 - 11:00 4EXC - Modeling of potential distribution for cathodic protection in submarine systems Priscilla Mengarda; Patricio Rodolfo Impinnisi; Igor de Lacerda; Luiz Alkimin de Lacerda; Roberto Dalledone Machado Room: Adriático S.P7.30 Modeling of potential distribution for cathodic protection in submarine systems 09:30 - 11:00 Authors: Priscilla Mengarda; Patricio Rodolfo Impinnisi; Igor de Lacerda; Luiz Alkimin de Lacerda; Roberto Dalledone Machado Presenter: MENGARDA, P. - Room: Adriático S.P7.31 09:30 - 11:00 4F4B - Modulation of the electrical properties of CeO₂ by modifying the morphology during the synthesis Regiane Cristina Oliveira; Rafael Aparecido Ciola Amoresi; Priscila Barros de Almeida; Naiara Letícia Marana; Julio Ricardo Sambrano; Elson Longo; Alexandre Z. Simões Room: Adriático S.P7.31 Modulation of the electrical properties of CeO₂ by modifying the morphology during the synthesis 09:30 - 11:00 Authors: Regiane Cristina Oliveira; Rafael Aparecido Ciola Amoresi; Priscila Barros de Almeida; Naiara Letícia Marana; Julio Ricardo Sambrano; Elson Longo; Alexandre Z. Simões Presenter: OLIVEIRA, R. C. - Room: Adriático S.P7.32 09:30 - 11:00 4FKG - DFT study about the role of oxygen vacancies on the mulitferroic properties of ATiO₃ (A = Mn, Fe, Ni) Renan Augusto Pontes Ribeiro; Marisa Carvalho Oliveira; Juan Andrés; Mauricio Roberto Delmonte Bomio; Sergio Ricardo de Lazaro; Elson Longo Room: Adriático S.P7.32 DFT study about the role of oxygen vacancies on the mulitferroic properties of ATiO₃ (A = Mn, Fe, Ni) 09:30 - 11:00 Authors: Renan Augusto Pontes Ribeiro; Marisa Carvalho Oliveira; Juan Andrés; Mauricio Roberto Delmonte Bomio; Sergio Ricardo de Lazaro; Elson Longo Presenter: LAZARO, S. R. - Room: Adriático S.P7.33 09:30 - 11:00 4GAD - Theoretical study of TiO₂ nanotube with silver clusters Richard Castro Júnior; Naiara Letícia Marana; Julio Ricardo Sambrano Room: Adriático S.P7.33 Theoretical study of TiO₂ nanotube with silver clusters 09:30 - 11:00 Authors: Richard Castro Júnior; Naiara Letícia Marana; Julio Ricardo Sambrano Presenter: JÚNIOR, R. C. - Room: Adriático S.P7.34 09:30 - 11:00 4GTY - Optimization of Ti6Al4V auxetic structures Ruben Acevedo; Radek Kolman; Marcio Celso Fredel; Edson Santos Room: Adriático S.P7.34 Optimization of Ti6Al4V auxetic structures 09:30 - 11:00 Authors: Ruben Acevedo; Radek Kolman; Marcio Celso Fredel; Edson Santos Presenter: ACEVEDO, R. - Room: Adriático S.P7.35 09:30 - 11:00 4FQH - Tuning In₂O₃ properties towards catalytic applications Samantha Custódio Silva Lemos; Iván Sorribes; Edson Nossol; ANTONIO OTAVIO T PATROCINIO; Juan Andrés; Renata Cristina de Lima Room: Adriático S.P7.35 Tuning In₂O₃ properties towards catalytic applications 09:30 - 11:00 Authors: Samantha Custódio Silva Lemos; Iván Sorribes; Edson Nossol; ANTONIO OTAVIO T PATROCINIO; Juan Andrés; Renata Cristina de Lima Presenter: LEMOS, S. C. - Room: Adriático S.P7.36 09:30 - 11:00 4FQ4 - Comparative study of high pressure and doping induced In₂O₃ phase transition Samantha Custódio Silva Lemos; Lourdes Gracia; Juan Andrés; Renata Cristina de Lima Room: Adriático S.P7.36 Comparative study of high pressure and doping induced In₂O₃ phase transition 09:30 - 11:00 Authors: Samantha Custódio Silva Lemos; Lourdes Gracia; Juan Andrés; Renata Cristina de Lima Presenter: LEMOS, S. C. - Room: Adriático S.P7.37 09:30 - 11:00 4FGF - Magnetoelectric PbBO₃ (B = Cu, Cr, Mn, Co and V) materials: lead-based multiferroics with high potential for spintronics and multiferroic devices Luis Henrique da Silveira Lacerda; Sergio Ricardo de Lazaro Room: Adriático S.P7.37 Magnetoelectric PbBO₃ (B = Cu, Cr, Mn, Co and V) materials: lead-based multiferroics with high potential for spintronics and multiferroic devices 09:30 - 11:00 Authors: Luis Henrique da Silveira Lacerda; Sergio Ricardo de Lazaro Presenter: LACERDA, L. D. - Room: Adriático S.P7.38 09:30 - 11:00 4FJT - First-principles DFT calculations applied on MnTiO₃ surfaces Sergio Ricardo de Lazaro; Renan Augusto Pontes Ribeiro; Elson Longo; Juan Andrés Room: Adriático S.P7.38 First-principles DFT calculations applied on MnTiO₃ surfaces 09:30 - 11:00 Authors: Sergio Ricardo de Lazaro; Renan Augusto Pontes Ribeiro; Elson Longo; Juan Andrés Presenter: LAZARO, S. R. - Room: Adriático S.P7.39 09:30 - 11:00 4HVM - 4D-printed origami-inspired multimaterial structures Silvia Lenyra Meirelles Campos Titotto Room: Adriático S.P7.39 4D-printed origami-inspired multimaterial structures 09:30 - 11:00 Authors: Silvia Lenyra Meirelles Campos Titotto Presenter: TITOTTO, S. - Room: Adriático S.P7.40 09:30 - 11:00 4HF4 - Structure-property correlation: a computational approach to perovskite Suellen Matias Ferreira; Nélio Henrique Nicoleti Room: Adriático S.P7.40 Structure-property correlation: a computational approach to perovskite 09:30 - 11:00 Authors: Suellen Matias Ferreira; Nélio Henrique Nicoleti Presenter: FERREIRA, S. M. - Room: Adriático S.P7.41 09:30 - 11:00 4EZJ - Composition-dependent synergetic properties of Zn₂GeO₄/g-C₃N₄ heterostructure Victor Yuudi Suzuki; Luis Henrique Cardozo Amorin; Jussara Rodrigues Fratelli; Rafaella Casado SIlva; Giovanni Fiori Tini; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Felipe de Almeida La Porta Room: Adriático S.P7.41 Composition-dependent synergetic properties of Zn₂GeO₄/g-C₃N₄ heterostructure 09:30 - 11:00 Authors: Victor Yuudi Suzuki; Luis Henrique Cardozo Amorin; Jussara Rodrigues Fratelli; Rafaella Casado SIlva; Giovanni Fiori Tini; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Felipe de Almeida La Porta Presenter: SUZUKI, V. Y. - Room: Adriático S.P7.42 09:30 - 11:00 4EZK - Characterization of structural, optical and photocatalyst properties of Mn-doped Zn₂GeO₄ nanorods Victor Yuudi Suzuki; Luis Henrique Cardozo Amorin; Jussara Rodrigues Fratelli; Rafaella Casado SIlva; Giovanni Fiori Tini; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Maxímo Siu Li; Elson Longo; Felipe de Almeida La Porta Room: Adriático S.P7.42 Characterization of structural, optical and photocatalyst properties of Mn-doped Zn₂GeO₄ nanorods 09:30 - 11:00 Authors: Victor Yuudi Suzuki; Luis Henrique Cardozo Amorin; Jussara Rodrigues Fratelli; Rafaella Casado SIlva; Giovanni Fiori Tini; Nathália Maria Costa Guari; WALMIR ENO POTTKER; Maxímo Siu Li; Elson Longo; Felipe de Almeida La Porta Presenter: SUZUKI, V. Y. - Room: Adriático S.P7.43 09:30 - 11:00 4HV6 - Influence of Ni doped Ag2CrO4 on its structural, optical and photocatalytic properties Vinícius Teodoro; Aline Barrios Trench; Ana Cristina Mora; Elson Longo Room: Adriático S.P7.43 Influence of Ni doped Ag2CrO4 on its structural, optical and photocatalytic properties 09:30 - 11:00 Authors: Vinícius Teodoro; Aline Barrios Trench; Ana Cristina Mora; Elson Longo Presenter: TEODORO, V. - Room: Adriático S.P7.44 09:30 - 11:00 4FSB - Ferroelectric Polarization of (Pb_0.90Ca_0.10)TiO₃ Thin Films by Piezoresponse Microscopy Wagner Benicio Bastos; Elson Longo Room: Adriático S.P7.44 Ferroelectric Polarization of (Pb_0.90Ca_0.10)TiO₃ Thin Films by Piezoresponse Microscopy 09:30 - 11:00 Authors: Wagner Benicio Bastos; Elson Longo Presenter: BASTOS, W. B. - Room: Adriático S.P7.45 09:30 - 11:00 4HMM - Kinnetic Monte Carlo Simulation Of The Early Stages Of Metallic Thin Films Growth Yasmin Watanabe de Moura; Rodrigo B Capaz; Renata Simao Room: Adriático S.P7.45 Kinnetic Monte Carlo Simulation Of The Early Stages Of Metallic Thin Films Growth 09:30 - 11:00 Authors: Yasmin Watanabe de Moura; Rodrigo B Capaz; Renata Simao Presenter: DE MOURA, Y. W. - Room: Adriático
11:00 11:30	Coffee Break
11:30 12:30	Plenary Lecture PL.8.D4.1 11:30 - 12:30 4HW6 - Challenges in Processing of Materials to Reduce Weight of Structural Components Alan Taub Room: Mediterrâneo PL.8.D4.1 Challenges in Processing of Materials to Reduce Weight of Structural Components 11:30 - 12:30 Authors: Alan Taub Presenter: TAUB, A. - Room: Mediterrâneo
12:30 14:00	Closing Ceremony