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Interfaces in materials: electronic, magnetic, structural and transport properties

Grant number: 17/02317-2
Support type:Research Projects - Thematic Grants
Duration: November 01, 2017 - October 31, 2022
Field of knowledge:Physical Sciences and Mathematics - Physics
Principal Investigator:Adalberto Fazzio
Grantee:Adalberto Fazzio
Home Institution: Centro Nacional de Pesquisa em Energia e Materiais (CNPEM). Ministério da Ciência, Tecnologia, Inovações e Comunicações (Brasil). Campinas , SP, Brazil
Co-Principal Investigators:Alexandre Reily Rocha ; Antônio José Roque da Silva ; Caetano Rodrigues Miranda ; Flavio Leandro de Souza ; Gustavo Martini Dalpian ; Iseli Lourenço Nantes Cardoso ; José Antonio Souza ; Wendel Andrade Alves
Assoc. researchers: 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
Associated grant(s):18/02065-6 - Grain boundaries in the 3D topological insulator, AV.BR
Associated scholarship(s):19/04176-2 - Searching for new two dimensional materials: thermodynamic properties, BP.IC
18/25103-0 - Interfaces - functionalized graphenes and organic pollutans: theoretical-experimental approach in environmental nanotechnology, BP.DD
19/01785-8 - Synthesis and characterization of CH3NH3PbX3 perovskites films, BP.PD
+ associated scholarships 19/01425-1 - Synthesis and interaction of metal oxide nanostructures and topological insulating materials with biomolecules, BP.DD
18/12545-5 - Non-equilibrium properties of water/metal interfaces, BP.PD
18/16491-7 - Influence of nickel hydroxide nanoparkets in self-assemble structure of fibroin microparticles, BP.DD
18/14181-0 - Synthesis, characterization and computational simulation of hybrid APbX3 (a = CS e CH3NH3; X = i, CL e br) perovskites, BP.DD
18/11856-7 - Interface-induced effects in quantum materials, BP.PD
18/11641-0 - Machine learning methods applied to the study of interfaces between semiconductors, BP.DD
18/05888-3 - Biosensors based on amphiphilic peptides for detection and diagnosis of diseases, BP.PD
18/05565-0 - Weyl semi-metal surfaces, BP.PD - associated scholarships


Research in the field of Materials Science has advanced enormously in recent years, from an essentially applied, engineering-related approach to a position where it has great impact in other areas, including Physics, Chemistry, and Biology. This is mostly due to the advancement of theoretical and experimental techniques that have allowed us to probe, and interact with matter at the atomic and molecular scale.This project intends to work in this niche of atomic scale materials design, unveiling their properties, searching for new materials and developing even more advanced methodologies for their treatment and understanding. The project will focus mainly on the properties of surfaces and interfaces, studying emerging phenomena. Particularly, we will set our attention on: 1) the study of topological insulators when interfaced with other materials; 2) the study of the interface between solids and liquids, focusing on energy applications, such as photoelectrochemistry and oil physics; 3) the study of low-dimensional materials when in contact with other systems including biological ones; 4) the study of optical processes in interfaced materials and heterostructures for designing next-generation solar cells In this joint experimental/theoretical endeavor we will use state-of-the-art techniques. From the theoretical side, materials design will be achieved by big data methods in Materials Science, which includes the use of large material repositories and the development of "high throughput" codes, scanning different families of materials. Candidates with appropriate properties will then be more thoroughly studied using classical (molecular dynamics) and quantum (density functional theory) methods. These materials will also be studied experimentally involving techniques of nano and micro synthesis of semiconductor and magnetic materials, and their interaction with biomolecules and organic molecules. (AU)

Articles published in Agência FAPESP about the research grant
Lipid vesicles transmit luminous or electrical signals 
Virtual reality permits immersion in the world of atoms and molecules 

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)
MELLO, LUCAS R.; HAMLEY, IAN W.; MIRANDA, ANTONIO; ALVES, WENDEL A.; SILVA, EMERSON R. beta-sheet assembly in amyloidogenic glutamic acid nanostructures: Insights from X-ray scattering and infrared nanospectroscopy. JOURNAL OF PEPTIDE SCIENCE, v. 25, n. 6 JUN 2019. Web of Science Citations: 0.
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, APR 4 2019. Web of Science Citations: 0.
DA SILVA, RAFAEL; BARBOSA, RAFAEL; MANCANO, ROSANA RABELO; DURAES, NATHALIA; PONTES, RENATO BORGES; MIWA, R. H.; FAZZIO, A.; PADILHA, JOSE EDUARDO. Metal Chalcogenides Janus Monolayers for Efficient Hydrogen Generation by Photocatalytic Water Splitting. ACS APPLIED NANO MATERIALS, v. 2, n. 2, p. 890-897, FEB 2019. Web of Science Citations: 0.
RIGO, VAGNER A.; MIRANDA, CAETANO R.; BALETTO, FRANCESCA. Ethanol chemisorption on core-shell Pt-nanoparticles: an ab initio study. European Physical Journal B, v. 92, n. 2 FEB 2019. Web of Science Citations: 0.
ROJAS, JOSE EDUARDO U.; GERBELLI, BARBARA B.; RIBEIRO, ANDERSON O.; NANTES-CARDOSO, ISELI L.; GIUNTINI, FRANCESCA; ALVES, WENDEL A. Silk fibroin hydrogels for potential applications in photodynamic therapy. Biopolymers, v. 110, n. 2 FEB 2019. Web of Science Citations: 0.
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, FEB 2019. Web of Science Citations: 0.
ACOSTA, CARLOS MERA; FAZZIO, ADALBERTO. Spin-Polarization Control Driven by a Rashba-Type Effect Breaking the Mirror Symmetry in Two-Dimensional Dual Topological Insulators. Physical Review Letters, v. 122, n. 3 JAN 25 2019. Web of Science Citations: 0.
BARRETO, G. R.; KAWAI, C.; TOFANELLO, A.; NEVES, A. A. R.; ARAUJO-CHAVES, J. C.; BELLETI, E.; LANFREDI, A. J. C.; CRESPILHO, F. N.; NANTES-CARDOSO, I. L. Magnetoliposomes as model for signal transmission. ROYAL SOCIETY OPEN SCIENCE, v. 6, n. 1 JAN 2019. Web of Science Citations: 0.
FERRARI, VICTORIA C.; DUPIM, IVALDETE S.; SOUSA, VINICIUS; SOUZA, FLAVIO L. Photoactive multilayer WO3 electrode synthesized via dip-coating. CERAMICS INTERNATIONAL, v. 44, n. 18, p. 22983-22990, DEC 15 2018. Web of Science Citations: 0.
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, AUG 2018. Web of Science Citations: 0.
PELIN, JULIANE N. B. D.; GATTO, EMANUELA; VENANZI, MARIANO; CAVALIERI, FRANCESCA; OLIVEIRA, CRISTIANO L. P.; MARTINHO, HERCULANO; SILVA, EMERSON R.; AGUILAR, ANDREA M.; SOUZA, JULIANA S.; ALVES, WENDEL A. Hybrid Conjugates Formed between Gold Nanoparticles and an Amyloidogenic Diphenylalanine-Cysteine Peptide. CHEMISTRYSELECT, v. 3, n. 24, p. 6756-6765, JUN 29 2018. Web of Science Citations: 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 MAR 2018. Web of Science Citations: 0.

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