Journal
CHEMICAL ENGINEERING JOURNAL
Volume 434, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2022.134547
Keywords
2-Dichloroethane; Oxygen functional groups; Electrocatalytic dechlorination reaction; Theoretical calculations; Active sites
Categories
Funding
- Xing Liao Talents Program Project [XLYC1902051]
- Key Project of the National Ministry of Science and Technology [2016YFC0204204]
- National Natural Science Foundation of China [22076018]
- Program of Introducing Talents of Discipline to Universities [B13012]
- Fundamental Research Funds for the Central Universities [DUT19LAB10]
- Key Laboratory of Industrial Ecology and Environmental Engineering, China Ministry of Education
- State Key Laboratory of Catalysis in DICP [N-20-06]
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Carbon materials have shown promising electrocatalytic performance for 1,2-dichloroethane dechlorination reaction. Oxygen functional groups have a significant effect on the electrochemical performance, with C=O being the main active component.
Carbon materials have been widely proved to be promising electrocatalysts for 1,2-dichloroethane (DCE) dechlorination reaction (DCEDR), while the significance or precise role of oxygen functional groups (OFGs) on the electrochemical reactivity has yet to be clarified. Herein, based on a sequence of reduced graphene oxide (RGOs) with varying contents of OFGs, we have found that the OFGs shown great effect on the electrochemical performance of carbon-based catalysts for DCEDR. Correlation tests indicated that the electrochemical DCEDR performance shown positive correlation only with the content of C=O, suggesting that C=O was the main real active component for DCEDR to ethylene. Further theoretical calculation results revealed that the C atom neighbored to C=O at armchair edge shown the lowest energy barrier of 0.11 eV for DCEDR, which was consistent with the result of experiment. Therefore, C atom neighbored to C=O at armchair edge was the real active site for DCEDR to ethylene. This work provides a deep understanding of the real nature of OFGs in electrocatalysis, and offers an efficient approach for rational exploitation of advanced carbon materials.
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