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CDMF - Functional Materials Development Center: theoretical study of multifunctional materials with potential antiviral application

Grant number: 21/01651-1
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Start date: May 01, 2021
End date: June 20, 2025
Field of knowledge:Engineering - Materials and Metallurgical Engineering - Nonmetallic Materials
Principal Investigator:Elson Longo da Silva
Grantee:Marisa Carvalho de Oliveira
Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
Associated research grant:13/07296-2 - CDMF - Center for the Development of Functional Materials, AP.CEPID
Associated scholarship(s):22/16840-7 - ROS generation and enhanced biocide activity of AgNbO3 semiconductor: an in-depth theoretical perspective, BE.EP.PD

Abstract

Based on our previous experience, we propose a step forward in Materials Science research with the formation of a multidisciplinary Center for the Development of Functional Materials (CDFM). This center will be an offshoot of the Multidisciplinary Center for the Development of Ceramic Materials (MCDCM) which received FAPESP support from the first version of the CEPID program. The core focus of our center is the ability to synthesize materials with a controlled chemical composition, a crystallographic structure and morphology as well as to combine theory, simulations and experimental results. In the CDFM, we will use these skills for the development of functional and nanostructured materials to address new societal needs by finding solutions in three emerging main issues: renewable energy, health, and the environmental sustainability. In terms of innovation and technological transfer, the proposal will be directly connected to the basic research program and will act in the following segments: pilot plants for functional nanoparticles, the development of new applications for functional materials and the generation of spin-off companies. Other fundamental targets of our new center will be to strengthen our collaborations with international recognized laboratories in functional materials and to attract good international students and researchers. Efforts will also be directed to the improvement of science education for elementary and high school students, to attract young people to scientific careers, and promote scientific knowledge diffusion in the media. (AU)

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Scientific publications (17)
(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)
ANGADI, V. JAGADEESHA; MANJUNATHA, K.; OLIVEIRA, MARISA C.; LONGO, ELSON; DE LAZARO, SERGIO R.; RIBEIRO, RENAN A. P.; BHAT, S. V.. Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism. Applied Surface Science, v. 574, . (21/01651-1, 13/07296-2)
CATTO, ARIADNE C.; OLIVEIRA, MARISA C.; RIBEIRO, RENAN A. P.; AVANSI JR, WALDIR; DA SILVA, LUIS F.; LONGO, ELSON. Hematite rhombuses for chemiresitive ozone sensors: Experimental and theoretical approaches. Applied Surface Science, v. 563, . (13/07296-2, 17/12437-5, 18/18208-0, 21/01651-1)
SILVA, LETICIA M. B.; BARROS, FRANCISCO A. A.; OLIVEIRA, MARISA C.; RIBEIRO, RENAN A. P.; DA COSTA, M. E. H. MAIA; ALVES, ODIVALDO C.; SANTOS, EVELYN C. S.; SOUZA, LUIZ K. C. DE; SANTOS, C. C.; DE MENEZES, A. S.; et al. Theoretical and experimental investigation on electronic and photocatalytic properties of n-p BiOBr/FeWO4 heterojunction for dyes degradation. Journal of Alloys and Compounds, v. 1010, p. 18-pg., . (21/01651-1)
RADJA, IMANE; KHANE, YASMINA; OLIVEIRA, MARISA C.; LONGO, ELSON; RIBEIRO, RENAN A. P.; ISIK, MEHMIT; BENNABI, FARID; ECH-CHERGUI, ABDELKADER NEBATTI; GUEZZOUL, M'HAMED; MUKHERJEE, SANAT KUMAR; et al. SnS2 and Ho-doped SnS2 thin films: Synergistic, DFT, photocatalytic, and antibacterial studies. CERAMICS INTERNATIONAL, v. 50, n. 20, p. 12-pg., . (13/07296-2, 22/16840-7, 21/01651-1)
MANJUNATHA, K.; ANGADI, V. JAGADEESHA; HARDI, SAMMED SHANTINATH; CHIU, HSIN-HAO; HSU, TSU-EN; WU, SHENG YUN; OLIVEIRA, MARISA C.; LONGO, ELSON; RIBEIRO, RENAN A. P.; UBAIDULLAH, MOHD; et al. Synthesis of lithium doped magnesium ferrites and their vibrational and magnetic properties: Correlation of experimental and density functional theory. CERAMICS INTERNATIONAL, v. 50, n. 12, p. 11-pg., . (13/07296-2, 21/01651-1)
ANIVALDO FERREIRA DE REZENDE; MARISA CARVALHO DE OLIVEIRA; RENAN AUGUSTO PONTES RIBEIRO; WEBER DUARTE MESQUITA; JAKELINI DE JESUS MARQUES; NILVA FERNANDA DOS SANTOS MAGALHÃES; JORGE HENRIQUE VIEIRA LEMES; ELSON LONGO; MARIA FERNANDA DO CARMO GURGEL. DFT Calculations for Structural, Electronic, and Magnetic Properties of ZnFe2O4 Spinel Oxide: The Role of Exchange-Correlation Functional. MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS, v. 25, . (13/07296-2, 21/01651-1)
DE OLIVEIRA, MARISA CARVALHO; LONGO, ELSON; RIBEIRO, RENAN A. P.; LEMOS, SAMANTHA C. S.; ANDRES, JUAN; GRACIA, LOURDES. First-principles study on the stability, electronic structure, and band alignment of AgNbO3 surfaces: Understanding the adsorption process of H2O and O2. COMPUTATIONAL MATERIALS SCIENCE, v. 246, p. 14-pg., . (13/07296-2, 22/16840-7, 21/01651-1)
BEZERRA, MARTA MARIA DE MOURA; OLIVEIRA, MARISA CARVALHO; MESQUITA, WEBER DUARTE; JUNIOR, AMILTON BRITO DA SILVA; LONGO, ELSON; GURGEL, MARIA FERNANDA DO CARMO. An Ab Initio Analysis of Structural and Electronic Properties of Cubic SrSnO3. ORBITAL-THE ELECTRONIC JOURNAL OF CHEMISTRY, v. 13, n. 3, p. 227-231, . (21/01651-1, 13/07296-2)
MANJUNATHA, K.; ANGADI, V. JAGADEESHA; OLIVEIRA, M. C.; DE LAZARO, S. R.; LONGO, E.; RIBEIRO, R. A. P.; MANJUNATHA, S. O.; AYACHIT, N. H.. Towards shape-oriented Bi-doped CoCr2O4 nanoparticles from theoretical and experimental perspectives: structural, morphological, optical, electrical and magnetic properties. JOURNAL OF MATERIALS CHEMISTRY C, v. 9, n. 20, p. 6452-6469, . (13/07296-2, 21/01651-1)
ANGADI, V. JAGADEESHA; YAHIA, I. S.; ZAHRAN, H. Y.; OLIVEIRA, M. C.; LONGO, E.; KUBRIN, S. P.; MANJUNATHA, S. O.; RIBEIRO, R. A. P.; GHOZZA, M. H.. Effect of Eu3+ on the Structural, Magnetic and Mossbauer Spectroscopy Studies of Copper Ferrite. Journal of Magnetism and Magnetic Materials, v. 562, p. 10-pg., . (13/07296-2, 21/01651-1)
DE OLIVEIRA, MARISA CARVALHO; ASSIS, MARCELO; SIMOES, LUIZ GUSTAVO PAGOTTO; MINOZZI, DANIEL TAMASSIA; RIBEIRO, RENAN A. . P.; ANDRES, JUAN; LONGO, ELSON. Unraveling the Intrinsic Biocidal Activity of the SiO2-Ag Composite against SARS-CoV-2: A Joint Experimental and Theoretical Study. ACS APPLIED MATERIALS & INTERFACES, v. N/A, p. 13-pg., . (13/07296-2, 21/01651-1)
SOUZA, JOSIANE C.; RIBEIRO, RENAN A. P.; DA TRINDADE, LETICIA G.; DE OLIVEIRA, REGIANE C.; COSTA, LEONARDO D.; DE OLIVEIRA, MARISA C.; DE LAZARO, SERGIO R.; SAMBRANO, JULIO R.; MENDONCA, CLEBER R.; DE BONI, LEONARDO; et al. Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3. ACS OMEGA, v. 6, n. 42, p. 28049-28062, . (18/11283-7, 13/07296-2, 21/01651-1)
DE LAZARO, SERGIO RICARDO; ROSA, GUILHERME BONIFACIO; PONTES RIBEIRO, RENAN AUGUSTO; DA SILVEIRA LACERDA, LUIS HENRIQUE; DE OLIVEIRA, MARISA CARVALHO; LONGO, ELSON. Hybrid exchange-correlation functionals for van der Waals TiSe2 material: Parametrization versus a posteriori D3 dispersion corrections. COMPUTATIONAL MATERIALS SCIENCE, v. 214, p. 6-pg., . (20/03780-0, 21/01651-1, 13/07296-2, 16/23891-6, 17/26105-4)
SRINIVASAMURTHY, K. M.; EL-DENGLAWEY, A.; MANJUNATHA, K.; ANGADI, V, JAGADEESHA; OLIVEIRA, M. C.; LONGO, E.; LAZARO, S. R.; RIBEIRO, R. A. P.. bservation of dielectric dispersion and relaxation behavior in Ni2+-substituted cobalt ferrite nanoparticle. JOURNAL OF MATERIALS CHEMISTRY C, v. 10, n. 9, p. 3418-3428, . (13/07296-2, 21/01651-1)
MANJUNATHA, K.; HSU, TSU-EN; CHIU, HSIN-HAO; HO, MING-KANG; CHETHAN, B.; OLIVEIRA, MARISA C.; LONGO, ELSON; RIBEIRO, RENAN A. P.; YU, SHIH-LUNG; CHENG, CHIA-LIANG; et al. Bismuth-doping Induced Enhanced Humidity Sensing Properties of Spinel NiFe2O4 Nanoparticles. SENSORS AND ACTUATORS B-CHEMICAL, v. 422, p. 11-pg., . (13/07296-2, 22/16840-7, 21/01651-1)
CRUVINEL, GUILHERME HENRIQUE; DE OLIVEIRA, REGIANE CRISTINA; DE OLIVEIRA, MARISA CARVALHO; PINATTI, IVO MATEUS; RIBEIRO, RENAN AUGUSTO PONTES; LONGO, ELSON. Unraveling the morphology-structure-property relationship of silver orthovanadate p-semiconductor: Experimental and theoretical investigation. CERAMICS INTERNATIONAL, v. 50, n. 17, p. 12-pg., . (22/16840-7, 21/01651-1, 21/11255-6, 13/07296-2, 20/11232-3)
MANJUNATHA, KRISHTAPPA; CHIU, HSIN-HAO; HO, MING-KANG; HSU, TSU-EN; YU, SHIH-LUNG; CHIN, CHU-EN; CHENG, CHIA-LIANG; DE OLIVEIRA, MARISA CARVALHO; LONGO, ELSON; RIBEIRO, RENAN A. P.; et al. Mg-Doped CoCr2O4 Nanoparticles: Implications for Magnetic Memory and Magnetocaloric Effect. ACS APPLIED NANO MATERIALS, v. 6, n. 13, p. 14-pg., . (21/01651-1, 13/07296-2)