Formation of Ag Nanoparticles by Laser Irradiation: An ab inicio Investigation

• Grant number: 18/20729-9
• Support Opportunities: Scholarships in Brazil - Post-Doctorate
• Effective date (Start): August 01, 2019
• Status: Discontinued
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Edison Zacarias da Silva
• Grantee: Luis Antônio Cabral
• 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
• Associated scholarship(s): 21/09187-2 - Formation of silver nanoparticles by laser irradiation: an ab initio investigation, BE.EP.PD

Abstract

In this project we are proposing an atomistic scale investigation using the density functional theory to describe the effects of the incidence of a laser in silver based compounds of formula Ag2WO4, Ag2MoO4, Ag3PO4 and Ag4V2O7, with a view to the possible applications in devices physics at the nanoscale. The previous success of our group obtained by combining the laser and silver based compounds allows to achieve fundamental advances in, such as, nanomedicine and nanotecnology. These results allow us to continue concentrating our efforts on this topic and to analyze the open questions, such as the effects of the modification of the atomic coordination after the laser incidence. In addition, among the different effects of the laser action, we can highlight the modification of the structural properties, leading to the formation of silver nanoparticles and vacancies on the surface of the host material and, consequently, modifying the electronic properties of the system. In addition, the analysis of the adsorption sites, as well as the work function, before and after the formation of the silver nanoparticles, will guide the next steps, in which the normal vibrational modes will be investigated. Thus, an atomistic investigation via first principles is crucial to the deep understanding of experimental measurements, which will allow to direct the results in a view of the technological applications. Thus, the obtaining of the desired results and their understanding will contribute significantly to the nanodevices field, which will be properly reported, adding experience to the knowledge of the candidate.

Scientific publications

(4)

(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)

ROCHA, LEANDRO S. R.; SCHIPANI, FEDERICO; ALDAO, CELSO M.; CABRAL, LUIS; SIMOES, ALEXANDRE Z.; MACCHI, CARLOS; MARQUES, GILMAR E.; PONCE, MIGUEL A.; LONGO, ELSON. Experimental and ab Initio Studies of Deep-Bulk Traps in Doped Rare-Earth Oxide Thick Films. Journal of Physical Chemistry C, v. 124, n. 1, p. 997-1007, JAN 9 2020. (18/20729-9, 13/07296-2, 14/19142-2, 18/20590-0, 16/25500-4, 17/19143-7)

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, MAR 7 2021. (13/12993-4, 17/02317-2, 18/20729-9)

PARREIRAS, SOFIA O.; CABRAL, LUIS A.; LOURENCO, V, RODRIGO; COTTA, ALEXANDRE A. C.; SCHIO, PEDRO; CEZAR, JULIO C.; GASTELOIS, PEDRO L.; DA SILVA, EDISON Z.; MACEDO, WALDEMAR A. A.. Induced magnetization in Cu atoms at the Fe-Co/Cu3Au(001) interface: X-ray magnetic circular dichroism experiments and theoretical results. Applied Surface Science, v. 548, MAY 15 2021. (18/20729-9, 17/26105-4, 16/23891-6, 13/07296-2)

DE OLIVEIRA, REGIANE CRISTINA; CABRAL, LUIS; CABRAL, ANA CRISTINA; ALMEIDA, PRISCILA BARROS; TIBALDI, NICOLAS; SAMBRANO, JULIO RICARDO; SIMOES, ALEXANDRE ZIRPOLI; MACCHI, CARLOS EUGENIO; MOURA, FRANCISCO; MARQUES, GILMAR EUGENIO; et al. Charge transfer in Pr-Doped cerium oxide: Experimental and theoretical investigations. Materials Chemistry and Physics, v. 249, JUL 15 2020. (19/08928-9, 18/20729-9, 08/57872-1, 13/07296-2)