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Molecules 2017, 22(7), 1142; doi:10.3390/molecules22071142

Synthesis and Study of Fe-Doped Bi2S3 Semimagnetic Nanocrystals Embedded in a Glass Matrix

1
Departamento de Física, Instituto de Ciências Exatas, Naturais e Educação (ICENE), Universidade Federal do Triângulo Mineiro, Uberaba 38025–180, Minas Gerais, Brazil
2
Departamento de Engenharia Mecânica, Instituto de Ciências Tecnológicas e Exatas (ICTE), Universidade Federal do Triângulo Mineiro, Uberaba 38064–200, Minas Gerais, Brazil
3
Instituto do Mar, Universidade Federal de São Paulo, Santos 11070–100, São Paulo, Brazil
4
Laboratório de Novos Materiais Isolantes e Semicondutores (LNMIS), Instituto de Física, Universidade Federal de Uberlândia, Uberlândia 38400–902, Minas Gerais, Brazil
*
Author to whom correspondence should be addressed.
Received: 28 May 2017 / Revised: 3 July 2017 / Accepted: 5 July 2017 / Published: 11 July 2017
(This article belongs to the Special Issue Nanocrystals: Synthesis, Characterization and Applications)
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Abstract

Iron-doped bismuth sulphide (Bi2−xFexS3) nanocrystals have been successfully synthesized in a glass matrix using the fusion method. Transmission electron microscopy images and energy dispersive spectroscopy data clearly show that nanocrystals are formed with an average diameter of 7–9 nm, depending on the thermic treatment time, and contain Fe in their chemical composition. Magnetic force microscopy measurements show magnetic phase contrast patterns, providing further evidence of Fe incorporation in the nanocrystal structure. The electron paramagnetic resonance spectra displayed Fe3+ typical characteristics, with spin of 5/2 in the 3d5 electronic state, thereby confirming the expected trivalent state of Fe ions in the Bi2S3 host structure. Results from the spin polarized density functional theory simulations, for the bulk Fe-doped Bi2S3 counterpart, corroborate the experimental fact that the volume of the unit cell decreases with Fe substitutionally doping at Bi1 and Bi2 sites. The Bader charge analysis indicated a pseudo valency charge of 1.322|e| on FeBi1 and 1.306|e| on FeBi2 ions, and a spin contribution for the magnetic moment of 5.0 µB per unit cell containing one Fe atom. Electronic band structures showed that the (indirect) band gap changes from 1.17 eV for Bi2S3 bulk to 0.71 eV (0.74 eV) for Bi2S3:FeBi1 (Bi2S3:FeBi2). These results are compatible with the 3d5 high-spin state of Fe3+, and are in agreement with the experimental results, within the density functional theory accuracy. View Full-Text
Keywords: Fe-doped bismuth sulphide; nanocrystal synthesis; density functional theory Fe-doped bismuth sulphide; nanocrystal synthesis; density functional theory
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MDPI and ACS Style

Silva, R.S.; Mikhail, H.D.; Guimarães, E.V.; Gonçalves, E.R.; Cano, N.F.; Dantas, N.O. Synthesis and Study of Fe-Doped Bi2S3 Semimagnetic Nanocrystals Embedded in a Glass Matrix. Molecules 2017, 22, 1142.

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