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
Description
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]
ISSN:00086223
DOI:10.1016/j.carbon.2025.120942