Unconventional Disorder by Femtosecond Laser Irradiation in Fe 2 O 3 .

Autor: Souza JC; LIEC-CDMF-Department of Chemistry, Federal University of São CarlosRINGGOLD, 13565-905 São Carlos, Brazil., Ribeiro RAP; Department of Chemistry, State University of Minas Gerais-UEMG, 35501-170 Divinópolis, Brazil., G da Trindade L; Department of Chemistry, São Paulo State University-UNESP, 17033-360 Bauru, Brazil., Oliveira RC; Modeling and Molecular Simulations Group, São Paulo State University-UNESP, 17033-360 Bauru, Brazil., D Costa L; Physics Department, Federal University of São Carlos, 13565-905 São Carlos, Brazil., C de Oliveira M; LIEC-CDMF-Department of Chemistry, Federal University of São CarlosRINGGOLD, 13565-905 São Carlos, Brazil., de Lazaro SR; Department of Chemistry, State University of Ponta GrossaRINGGOLD, 84030-900 Ponta Grossa, Brazil., Sambrano JR; Modeling and Molecular Simulations Group, São Paulo State University-UNESP, 17033-360 Bauru, Brazil., Mendonça CR; Department of Physics and Materials Science, Institute of Physics, University of São Paulo, 13566-590 São Carlos, Brazil., de Boni L; Department of Physics and Materials Science, Institute of Physics, University of São Paulo, 13566-590 São Carlos, Brazil., L Pontes FM; Department of Chemistry, São Paulo State University-UNESP, 17033-360 Bauru, Brazil., de Oliveira AJA; Physics Department, Federal University of São Carlos, 13565-905 São Carlos, Brazil., Leite ER; LIEC-CDMF-Department of Chemistry, Federal University of São CarlosRINGGOLD, 13565-905 São Carlos, Brazil.; Brazilian Nanotechnology National Laboratory (LNNano) Brazilian Center for Research in Energy and Materials (CNPEM), 13083-100 Campinas, Brazil., Longo E; LIEC-CDMF-Department of Chemistry, Federal University of São CarlosRINGGOLD, 13565-905 São Carlos, Brazil.
Jazyk: angličtina
Zdroj: ACS omega [ACS Omega] 2021 Oct 14; Vol. 6 (42), pp. 28049-28062. Date of Electronic Publication: 2021 Oct 14 (Print Publication: 2021).
DOI: 10.1021/acsomega.1c04079
Abstrakt: This paper demonstrates that femtosecond laser-irradiated Fe 2 O 3 materials containing a mixture of α-Fe 2 O 3 and ε-Fe 2 O 3 phases showed significant improvement in their photoelectrochemical performance and magnetic and optical properties. The absence of Raman-active vibrational modes in the irradiated samples and the changes in charge carrier emission observed in the photocurrent density results indicate an increase in the density of defects and distortions in the crystalline lattice when compared to the nonirradiated ones. The magnetization measurements at room temperature for the nonirradiated samples revealed a weak ferromagnetic behavior, whereas the irradiated samples exhibited a strong one. The optical properties showed a reduction in the band gap energy and a higher conductivity for the irradiated materials, causing a higher current density. Due to the high performance observed, it can be applied in dye-sensitized solar cells and water splitting processes. Quantum mechanical calculations based on density functional theory are in accordance with the experimental results, contributing to the elucidation of the changes caused by femtosecond laser irradiation at the molecular level, evaluating structural, energetic, and vibrational frequency parameters. The surface simulations enable the construction of a diagram that elucidates the changes in nanoparticle morphologies.
Competing Interests: The authors declare no competing financial interest.
(© 2021 The Authors. Published by American Chemical Society.)
Databáze: MEDLINE
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