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Transition metal-coordinated metastable [MoS4]2- cluster for SO2-facilitated gaseous mercury adsorption from wet flue gas.

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Title: Transition metal-coordinated metastable [MoS4]2- cluster for SO2-facilitated gaseous mercury adsorption from wet flue gas.
Authors: Shi, Chaobin1,2 (AUTHOR), Hong, Qinyuan1 (AUTHOR) hqy3191@sjtu.edu.cn, Qi, Zhen3 (AUTHOR), Ayiding, Jiaenbota1 (AUTHOR), Li, Sichao4 (AUTHOR), Huang, Wenjun1 (AUTHOR) hwenjun@sjtu.edu.cn, Qu, Zan1,5 (AUTHOR), Luo, Zhenghong6 (AUTHOR), Yan, Naiqiang1,4 (AUTHOR), Xu, Haomiao1 (AUTHOR)
Source: Journal of Environmental Sciences (Elsevier). Aug2026, Vol. 166, p682-689. 8p.
Subject Terms: *Adsorption (Chemistry), *Flue gas desulfurization, Molybdenum sulfides, Gas absorption & adsorption, Composite materials, Microclusters, Transition metal complexes
Abstract: • Cu2+-coordinated [MoS 4 ]2- exhibited a heterostructure composed of CuS and MoS x. • Cu-MoS 4 exhibits superior Hg0 adsorption capacity of 337.4 mg/g. • Cu2+ coordination boosts S n 2- and Mo6+ for Hg0 removal. • SO 2 and H 2 O synergistically improve Cu-MoS 4 performance. The removal of gaseous elemental mercury (Hg0) from SO 2 -containing wet flue gas via adsorption is hindered by surface sulfation and pore clogging on adsorbents. This study addresses these challenges by leveraging the metastable [MoS 4 ]2- cluster, which converts to MoS x induced by SO 2 under wet conditions. By coordinating transition metal ions (M = Cu, Zn, Mn, Ni) with [MoS 4 ]2-, we simultaneously achieved the regulation of active sulfur sites and the enhancement of SO 2 on Hg0 adsorption. Cu-MoS 4 exhibited a porous heterostructure of MoSₓ and CuS, achieving a superior Hg0 adsorption capacity of 337.4 mg/g. Notably, Cu-MoS 4 demonstrated significantly higher Hg0 removal efficiency in the presence of both SO 2 and H 2 O compared to their individual effects. Mechanistic studies revealed that Cu2+ coordination increased unsaturated coordinated S n 2- and high-valent Mo6+ proportions. The SO 3 2- wet interface formed on Cu-MoS 4 by SO 2 and H 2 O underwent reverse disproportionation with S2-, replenishing 42.6 % of S n 2- sites, thereby enhancing its performance. This work introduces a novel approach combining ex-situ and in-situ regulation of sulfur coordination environments, offering material and methodological advancements for Hg0 removal from industrial flue gas. [Display omitted] [ABSTRACT FROM AUTHOR]
Copyright of Journal of Environmental Sciences (Elsevier) 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.)
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  Label: Title
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  Data: Transition metal-coordinated metastable [MoS4]2- cluster for SO2-facilitated gaseous mercury adsorption from wet flue gas.
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  Data: <searchLink fieldCode="AR" term="%22Shi%2C+Chaobin%22">Shi, Chaobin</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hong%2C+Qinyuan%22">Hong, Qinyuan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> hqy3191@sjtu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Qi%2C+Zhen%22">Qi, Zhen</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ayiding%2C+Jiaenbota%22">Ayiding, Jiaenbota</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Sichao%22">Li, Sichao</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Huang%2C+Wenjun%22">Huang, Wenjun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> hwenjun@sjtu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Qu%2C+Zan%22">Qu, Zan</searchLink><relatesTo>1,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Luo%2C+Zhenghong%22">Luo, Zhenghong</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yan%2C+Naiqiang%22">Yan, Naiqiang</searchLink><relatesTo>1,4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Xu%2C+Haomiao%22">Xu, Haomiao</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Environmental+Sciences+%28Elsevier%29%22">Journal of Environmental Sciences (Elsevier)</searchLink>. Aug2026, Vol. 166, p682-689. 8p.
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  Data: *<searchLink fieldCode="DE" term="%22Adsorption+%28Chemistry%29%22">Adsorption (Chemistry)</searchLink><br />*<searchLink fieldCode="DE" term="%22Flue+gas+desulfurization%22">Flue gas desulfurization</searchLink><br /><searchLink fieldCode="DE" term="%22Molybdenum+sulfides%22">Molybdenum sulfides</searchLink><br /><searchLink fieldCode="DE" term="%22Gas+absorption+%26+adsorption%22">Gas absorption & adsorption</searchLink><br /><searchLink fieldCode="DE" term="%22Composite+materials%22">Composite materials</searchLink><br /><searchLink fieldCode="DE" term="%22Microclusters%22">Microclusters</searchLink><br /><searchLink fieldCode="DE" term="%22Transition+metal+complexes%22">Transition metal complexes</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: • Cu2+-coordinated [MoS 4 ]2- exhibited a heterostructure composed of CuS and MoS x. • Cu-MoS 4 exhibits superior Hg0 adsorption capacity of 337.4 mg/g. • Cu2+ coordination boosts S n 2- and Mo6+ for Hg0 removal. • SO 2 and H 2 O synergistically improve Cu-MoS 4 performance. The removal of gaseous elemental mercury (Hg0) from SO 2 -containing wet flue gas via adsorption is hindered by surface sulfation and pore clogging on adsorbents. This study addresses these challenges by leveraging the metastable [MoS 4 ]2- cluster, which converts to MoS x induced by SO 2 under wet conditions. By coordinating transition metal ions (M = Cu, Zn, Mn, Ni) with [MoS 4 ]2-, we simultaneously achieved the regulation of active sulfur sites and the enhancement of SO 2 on Hg0 adsorption. Cu-MoS 4 exhibited a porous heterostructure of MoSₓ and CuS, achieving a superior Hg0 adsorption capacity of 337.4 mg/g. Notably, Cu-MoS 4 demonstrated significantly higher Hg0 removal efficiency in the presence of both SO 2 and H 2 O compared to their individual effects. Mechanistic studies revealed that Cu2+ coordination increased unsaturated coordinated S n 2- and high-valent Mo6+ proportions. The SO 3 2- wet interface formed on Cu-MoS 4 by SO 2 and H 2 O underwent reverse disproportionation with S2-, replenishing 42.6 % of S n 2- sites, thereby enhancing its performance. This work introduces a novel approach combining ex-situ and in-situ regulation of sulfur coordination environments, offering material and methodological advancements for Hg0 removal from industrial flue gas. [Display omitted] [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Environmental Sciences (Elsevier) 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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    Identifiers:
      – Type: doi
        Value: 10.1016/j.jes.2025.10.039
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 8
        StartPage: 682
    Subjects:
      – SubjectFull: Adsorption (Chemistry)
        Type: general
      – SubjectFull: Flue gas desulfurization
        Type: general
      – SubjectFull: Molybdenum sulfides
        Type: general
      – SubjectFull: Gas absorption & adsorption
        Type: general
      – SubjectFull: Composite materials
        Type: general
      – SubjectFull: Microclusters
        Type: general
      – SubjectFull: Transition metal complexes
        Type: general
    Titles:
      – TitleFull: Transition metal-coordinated metastable [MoS4]2- cluster for SO2-facilitated gaseous mercury adsorption from wet flue gas.
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            NameFull: Shi, Chaobin
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            NameFull: Hong, Qinyuan
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              M: 08
              Text: Aug2026
              Type: published
              Y: 2026
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              Value: 166
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