Projects per year
Abstract
NO reduction over highly dispersed zerovalent iron (Fe0) supported on graphene (G), with and without the presence of CO in the reacting stream, was systematically studied using a fixed-bed reactor, and the reaction mechanism was examined with the aid of in situ Fourier transform infrared (FTIR) spectroscopy and density functional theory (DFT) calculations. The in situ FTIR results showed that NO adsorbed on the Fe0 site is reduced to form active surface oxygen species (O*), which is then reduced by carbon in graphene to form CO2. The presence of CO in the reacting stream helps to reduce the oxidized Fe(O) sites to regenerate Fe0 sites, making NO reduction easier. It was revealed that NO and CO2 are easily adsorbed on the active surface oxygen species (O*) to form nitrate and carbonate, inhibiting their reduction by CO and deactivating the catalyst. The DFT calculations results suggest that the role of Fe is to reduce the energy barrier of the NO adsorption and decomposition, which controls the formation of active surface oxygen species and N2. The combined FTIR and DFT results offer new insights into the possible mechanism of catalytic NO reduction over graphene loaded with Fe, with and without CO.
Original language | English |
---|---|
Pages (from-to) | 15369-15379 |
Number of pages | 11 |
Journal | Langmuir : the ACS journal of surfaces and colloids |
Volume | 39 |
Issue number | 43 |
DOIs | |
Publication status | Published - 31 Oct 2023 |
Fingerprint
Dive into the research topics of 'An Experimental and Density Functional Theory Simulation Study of NO Reduction Mechanisms over Fe0 Supported on Graphene with and without CO'. Together they form a unique fingerprint.-
Carbon-Supported Iron Catalysts for Selective Catalytic Reduction of NO
Zhang, D. (Investigator 01) & Zhu, M. (Investigator 02)
ARC Australian Research Council
1/07/22 → 30/06/25
Project: Research
-
Mechanisms of Ammonia (NH3) Combustion and Nitrogen Oxides (NOx) Formation
Zhang, D. (Investigator 01)
ARC Australian Research Council
1/10/21 → 30/09/24
Project: Research