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Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches.

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Title: Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches.
Authors: Garmroudi Nezhad, E.1 (AUTHOR), Kermani, F.1 (AUTHOR), Mollaei, Z.1 (AUTHOR), Mashreghi, M.2 (AUTHOR), Vahdati Khakhi, J.1 (AUTHOR), Mollazadeh, S.1 (AUTHOR) Mollazadeh.b@um.ac.ir
Source: Journal of Industrial & Engineering Chemistry. Mar2022, Vol. 107, p224-238. 15p.
Subjects: Self-propagating high-temperature synthesis, Zinc oxide, Data modeling, Density functional theory, Oxygen detectors, Oxygen
Abstract: [Display omitted] • The F/O value with the maximum interference of O 2 , S.P, was calculated. • The relation between the concentration of oxygen vacancy and S.P was verified with DFT calculations. • An interesting relation between experimental data and the proposed S.P was observed. In the present study, the ratio of reducing to oxidizing (F/O) elements as an indicator for maximum oxygen interference during the solution combustion synthesis (SCS) process of ZnO particles was determined using simple mathematical calculations. The obtained result was called special point (S.P). To interpret the role of S.P in the SCS reactions, ZnO particles were synthesized in the presence of citric acid, hexamine, hydrazine, and urea with various F/O values (0.75, 1, 1.25). The correlations between the S.P, physicochemical properties of the synthesized ZnO powders, and density functional theory (DFT) predictions were investigated. X-ray diffraction results, band-gap values, oxygen vacancy data, DFT results, and S.P points demonstrated the direct relation of these parameters. According to the S.P idea, it can be affirmed that the structural defects, particle size, optical band-gap (E g = 3.06), the color of the products, the magnetic properties (0.2 emu/g), and the antibacterial inhibitory (15.625 µg/mL) of the synthesized particles were controlled via the interference of O 2 during the synthesis process. In fact, the S.P investigation was suggested that the reaction rate of the combustion synthesis process could regulate the properties of ZnO particles. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Industrial & Engineering Chemistry is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 155229107
AccessLevel: 6
PubType: Periodical
PubTypeId: serialPeriodical
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches.
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  Data: <searchLink fieldCode="AR" term="%22Garmroudi+Nezhad%2C+E%2E%22">Garmroudi Nezhad, E.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kermani%2C+F%2E%22">Kermani, F.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mollaei%2C+Z%2E%22">Mollaei, Z.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mashreghi%2C+M%2E%22">Mashreghi, M.</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Vahdati+Khakhi%2C+J%2E%22">Vahdati Khakhi, J.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mollazadeh%2C+S%2E%22">Mollazadeh, S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> Mollazadeh.b@um.ac.ir</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Industrial+%26+Engineering+Chemistry%22">Journal of Industrial & Engineering Chemistry</searchLink>. Mar2022, Vol. 107, p224-238. 15p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Self-propagating+high-temperature+synthesis%22">Self-propagating high-temperature synthesis</searchLink><br /><searchLink fieldCode="DE" term="%22Zinc+oxide%22">Zinc oxide</searchLink><br /><searchLink fieldCode="DE" term="%22Data+modeling%22">Data modeling</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Oxygen+detectors%22">Oxygen detectors</searchLink><br /><searchLink fieldCode="DE" term="%22Oxygen%22">Oxygen</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: [Display omitted] • The F/O value with the maximum interference of O 2 , S.P, was calculated. • The relation between the concentration of oxygen vacancy and S.P was verified with DFT calculations. • An interesting relation between experimental data and the proposed S.P was observed. In the present study, the ratio of reducing to oxidizing (F/O) elements as an indicator for maximum oxygen interference during the solution combustion synthesis (SCS) process of ZnO particles was determined using simple mathematical calculations. The obtained result was called special point (S.P). To interpret the role of S.P in the SCS reactions, ZnO particles were synthesized in the presence of citric acid, hexamine, hydrazine, and urea with various F/O values (0.75, 1, 1.25). The correlations between the S.P, physicochemical properties of the synthesized ZnO powders, and density functional theory (DFT) predictions were investigated. X-ray diffraction results, band-gap values, oxygen vacancy data, DFT results, and S.P points demonstrated the direct relation of these parameters. According to the S.P idea, it can be affirmed that the structural defects, particle size, optical band-gap (E g = 3.06), the color of the products, the magnetic properties (0.2 emu/g), and the antibacterial inhibitory (15.625 µg/mL) of the synthesized particles were controlled via the interference of O 2 during the synthesis process. In fact, the S.P investigation was suggested that the reaction rate of the combustion synthesis process could regulate the properties of ZnO particles. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Industrial & Engineering Chemistry is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1016/j.jiec.2021.11.047
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 15
        StartPage: 224
    Subjects:
      – SubjectFull: Self-propagating high-temperature synthesis
        Type: general
      – SubjectFull: Zinc oxide
        Type: general
      – SubjectFull: Data modeling
        Type: general
      – SubjectFull: Density functional theory
        Type: general
      – SubjectFull: Oxygen detectors
        Type: general
      – SubjectFull: Oxygen
        Type: general
    Titles:
      – TitleFull: Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches.
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            NameFull: Garmroudi Nezhad, E.
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            NameFull: Kermani, F.
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            NameFull: Mollaei, Z.
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            NameFull: Mashreghi, M.
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            NameFull: Vahdati Khakhi, J.
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            NameFull: Mollazadeh, S.
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            – D: 25
              M: 03
              Text: Mar2022
              Type: published
              Y: 2022
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              Value: 107
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