2020
DOI: 10.1039/c9cp05928h
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Tailoring the physical and chemical properties of Sn1−xCoxO2 nanoparticles: an experimental and theoretical approach

Abstract: In this work, we present a coupled experimental and theoretical first-principles investigation on one of the more promising oxide-diluted magnetic semiconductors, the Sn1−xCoxO2 nanoparticle system, in order to see the effect of cobalt doping on the physical and chemical properties.

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Cited by 20 publications
(9 citation statements)
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“… 40‐42 The Sn spectrum displays two peaks at 495.6 eV (Sn 3d 3/2 ) and 484.9 eV (Sn 3d 5/2 ) for Sn 0. 10,43,44 Eventually, the XPS results are clear evidence of the electrodeposition of metal ions on the electrode surface, compatible with the obtained EDX results.…”
Section: Resultssupporting
confidence: 85%
“… 40‐42 The Sn spectrum displays two peaks at 495.6 eV (Sn 3d 3/2 ) and 484.9 eV (Sn 3d 5/2 ) for Sn 0. 10,43,44 Eventually, the XPS results are clear evidence of the electrodeposition of metal ions on the electrode surface, compatible with the obtained EDX results.…”
Section: Resultssupporting
confidence: 85%
“…3(c)) displays peaks at 486.05 eV (3d 5/2) and 494.6 eV (3d 3/2) that are associated with Sn 2+ whereas the peaks at 487.03 eV (3d 5/2) and 495.3 eV (3d 3/2) are due to Sn 4+ oxidation states. 36 The S 2p spectrum shown in Fig. 3(d) showed four peaks, two of which are located at 161.64 eV (2p 3/2 ) and 162.9 eV (2p 1/2 ), and are due to the sulphide phase.…”
Section: Resultsmentioning
confidence: 96%
“…5c), the peaks at 485.9 and 494.6 eV observed in the original sample disappear in the charged and discharged states, suggesting the formation of irreversible Sn 4+ (487.1 and 495.6 eV) states in the sample. 36 The S 2p spectra (Fig. 5d) of the original sample show peaks at 161.6 and 162.7 eV, which disappear in the discharged and charged states, and a broad peak at 169.7 appears, which is due to the sulphonate that forms due to the reaction between Li 2+ and trace amounts of oxygen and water.…”
Section: Resultsmentioning
confidence: 97%
“…We performed ab initio simulations of Ce-doped SnO 2 to provide an atomistic understanding of the ingredients that determine the oxidation state of the Ce-ions. In our calculations, we adopted a rutile-like SnO 2 structure with a 3 Â 3 Â 3 supercell, 44 containing 54 and 108 atoms of Sn and O, respectively, in its pristine form. Thus, we created a variety of point defects inside it.…”
Section: B Ab Initio Investigation Of the Oxidation State Of The Dopant Ce Ionsmentioning
confidence: 99%