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Catalysis in metallic nanowires and surfaces

Grant number: 20/11815-9
Support Opportunities:Scholarships in Brazil - Post-Doctoral
Effective date (Start): November 01, 2020
Effective date (End): October 31, 2022
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Edison Zacarias da Silva
Grantee:Otto Mao Vargas Machuca Bueno
Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:16/23891-6 - Computer modeling of condensed matter, AP.TEM

Abstract

This project aims to investigate properties of gold and cooper nanowires and their interaction with other metals in the formation of metallic nano-alloys as well as study their interaction with molecules of catalytic interest such as H2, O2, CO, NO, NH3 C2H6O. These studies will be performed using computer simulations techniques use in condensed matter research and have shown predictive capability. (AU)

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Scientific publications
(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)
BUENO, O. V. M.; SAN-MIGUEL, M. A.; DA SILVA, E. Z.. Ethanol Oxidation Reaction Mechanism on Gold Nanowires from Density Functional Theory. ChemPhysChem, v. N/A, p. 11-pg., . (17/26105-4, 16/23891-6, 13/07296-2, 20/11815-9)
BUENO, O. M. VARGAS MACHUCA; SAN-MIGUEL, M. A.; BERTRAN, C. A.; DA SILVA, E. ZACARIAS; LOPES, J. H.. Unveiling the mechanism of the triethyl phosphate hydrolysis reaction in the synthesis of the sol-gel-derived 58S bioactive glass. MATERIALS TODAY CHEMISTRY, v. 24, p. 12-pg., . (17/26105-4, 10/05394-9, 20/11815-9, 16/23891-6, 13/07296-2)

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