Theoretical and Experimental Evidence for the Carbon-Oxygen Group Enhancement of NO Reduction

Li, Jinyang, Wang, Yirui, Song, Jia, Gao, Qi, Zhang, Jia, Zhang, Jingyi, Zhai, Dong, Zhou, Jizhi, Liu, Qiang, Xu, Zhi Ping, Qian, Guangren and Liu, Yi (2017) Theoretical and Experimental Evidence for the Carbon-Oxygen Group Enhancement of NO Reduction. Environmental Science and Technology, 51 24: 14209-14216. doi:10.1021/acs.est.7b04213

Author Li, Jinyang
Wang, Yirui
Song, Jia
Gao, Qi
Zhang, Jia
Zhang, Jingyi
Zhai, Dong
Zhou, Jizhi
Liu, Qiang
Xu, Zhi Ping
Qian, Guangren
Liu, Yi
Title Theoretical and Experimental Evidence for the Carbon-Oxygen Group Enhancement of NO Reduction
Journal name Environmental Science and Technology   Check publisher's open access policy
ISSN 1520-5851
Publication date 2017-11-20
Year available 2017
Sub-type Article (original research)
DOI 10.1021/acs.est.7b04213
Open Access Status Not yet assessed
Volume 51
Issue 24
Start page 14209
End page 14216
Total pages 8
Place of publication Washington, DC United States
Publisher American Chemical Society
Language eng
Subject 1600 Chemistry
2304 Environmental Chemistry
Abstract The relation between a catalytic center and the surrounding carbon-oxygen groups influences the catalytic activity in various reactions. However, the impact of this relation on catalysis is usually discussed separately. For the first time, we proved that carbon-oxygen groups increased the reducibility of Fe-C bonds toward NO reduction. Experimentally, we compared the reductive activities of materials with either one or both factors, i.e., carbon-oxygen groups and Fe-C bonds. As a result, graphene oxide-supported Fe (with both factors) showed the best activity, duration of activity, and selectivity. This material reduced 100% of NO to N at 300 °C. Moreover, theoretical calculations revealed that the adsorption energy of graphene for NO increased from -13.51 (physical adsorption) to -327.88 kJ/mol (chemical adsorption) after modification with Fe-C. When the graphene-supported Fe was further modified with carboxylic acid groups, the ability to transfer charge increased dramatically from 0.109 to 0.180 |e|. Therefore, the carbon-oxygen groups increased the reducibility of Fe-C. The main results will contribute to the understanding of NO reduction and the design of effective catalysts.
Keyword Selective Catalytic-Reduction
Activated Carbon
Ion Batteries
Char Reaction
Co Oxidation
Q-Index Code C1
Q-Index Status Provisional Code
Grant ID 16DZX2260601
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: HERDC Pre-Audit
Australian Institute for Bioengineering and Nanotechnology Publications
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Created: Sat, 06 Jan 2018, 08:07:02 EST