View in EDS

Rational design of Co3O4–CNT–N-doped carbon system for superior OER: Bridging in situ/ex situ studies with DFT.

Saved in:
Bibliographic Details
Title: Rational design of Co3O4–CNT–N-doped carbon system for superior OER: Bridging in situ/ex situ studies with DFT.
Authors: Rojek, Anna G.1 (AUTHOR) da36295@zut.edu.pl, Zairov, Rustem2 (AUTHOR), Nazmutdinov, Renat2,3 (AUTHOR), Mijowska, Ewa1 (AUTHOR) emijowska@zut.edu.pl
Source: Carbon. Jan2026, Vol. 246, pN.PAG-N.PAG. 1p.
Subjects: Oxygen evolution reactions, Cobalt oxides, Doping agents (Chemistry), Electrocatalysts, Carbonization, Density functional theory, Carbon nanotubes
Abstract: This paper reveals that the controlled strategy of high-temperature carbonization of ZIF-67 is a facile route to deliver active species boosting oxygen evolution reaction (OER) performance. The optimized sample (treated at 750 °C) is composed of a nitrogen-doped carbon matrix with embedded metallic Co nanoparticles with Co 3 O 4 islets and decorated by carbon nanotubes (CNT). Among them, Co 3 O 4 islets significantly promote oxygen evolution. Their enhanced activity is explained via density-functional theory (DFT) calculations describing the reaction mechanism involving two different active sites of islets. The experimental results demonstrate an overpotential of 288 mV, a Tafel slope of 69 mV/dec, and a potential retention of 97.2 % after a 100h test at 50 mA/cm2. Systematic microscopic, in situ & ex-situ spectroscopic (Raman), and theoretical studies allowed us to unveil the intermediates responsible for the promotion of electroactivity. The theoretical model predicts the predominant catalytic activity of terminal O atoms (Ot) at the Co 3 O 4 surface. These results offer a promising "proof of concept" for developing more efficient zeolitic imidazole framework (ZIF)-based electrocatalysts. [Display omitted] [ABSTRACT FROM AUTHOR]
Copyright of Carbon 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
FullText Text:
  Availability: 0
Header DbId: egs
DbLabel: Engineering Source
An: 188906757
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Rational design of Co3O4–CNT–N-doped carbon system for superior OER: Bridging in situ/ex situ studies with DFT.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Rojek%2C+Anna+G%2E%22">Rojek, Anna G.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> da36295@zut.edu.pl</i><br /><searchLink fieldCode="AR" term="%22Zairov%2C+Rustem%22">Zairov, Rustem</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nazmutdinov%2C+Renat%22">Nazmutdinov, Renat</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mijowska%2C+Ewa%22">Mijowska, Ewa</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> emijowska@zut.edu.pl</i>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Carbon%22">Carbon</searchLink>. Jan2026, Vol. 246, pN.PAG-N.PAG. 1p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Oxygen+evolution+reactions%22">Oxygen evolution reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Cobalt+oxides%22">Cobalt oxides</searchLink><br /><searchLink fieldCode="DE" term="%22Doping+agents+%28Chemistry%29%22">Doping agents (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Electrocatalysts%22">Electrocatalysts</searchLink><br /><searchLink fieldCode="DE" term="%22Carbonization%22">Carbonization</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+nanotubes%22">Carbon nanotubes</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: This paper reveals that the controlled strategy of high-temperature carbonization of ZIF-67 is a facile route to deliver active species boosting oxygen evolution reaction (OER) performance. The optimized sample (treated at 750 °C) is composed of a nitrogen-doped carbon matrix with embedded metallic Co nanoparticles with Co 3 O 4 islets and decorated by carbon nanotubes (CNT). Among them, Co 3 O 4 islets significantly promote oxygen evolution. Their enhanced activity is explained via density-functional theory (DFT) calculations describing the reaction mechanism involving two different active sites of islets. The experimental results demonstrate an overpotential of 288 mV, a Tafel slope of 69 mV/dec, and a potential retention of 97.2 % after a 100h test at 50 mA/cm2. Systematic microscopic, in situ & ex-situ spectroscopic (Raman), and theoretical studies allowed us to unveil the intermediates responsible for the promotion of electroactivity. The theoretical model predicts the predominant catalytic activity of terminal O atoms (Ot) at the Co 3 O 4 surface. These results offer a promising "proof of concept" for developing more efficient zeolitic imidazole framework (ZIF)-based electrocatalysts. [Display omitted] [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Carbon 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.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=188906757
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.carbon.2025.120942
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 1
        StartPage: N.PAG
    Subjects:
      – SubjectFull: Oxygen evolution reactions
        Type: general
      – SubjectFull: Cobalt oxides
        Type: general
      – SubjectFull: Doping agents (Chemistry)
        Type: general
      – SubjectFull: Electrocatalysts
        Type: general
      – SubjectFull: Carbonization
        Type: general
      – SubjectFull: Density functional theory
        Type: general
      – SubjectFull: Carbon nanotubes
        Type: general
    Titles:
      – TitleFull: Rational design of Co3O4–CNT–N-doped carbon system for superior OER: Bridging in situ/ex situ studies with DFT.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Rojek, Anna G.
      – PersonEntity:
          Name:
            NameFull: Zairov, Rustem
      – PersonEntity:
          Name:
            NameFull: Nazmutdinov, Renat
      – PersonEntity:
          Name:
            NameFull: Mijowska, Ewa
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 01
              Text: Jan2026
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-print
              Value: 00086223
          Numbering:
            – Type: volume
              Value: 246
          Titles:
            – TitleFull: Carbon
              Type: main
ResultId 1