Understanding deNO x mechanisms in transition metal exchanged zeolites
Transition-metal-containing zeolites have wide-ranging applications in several catalytic
processes including the selective catalytic reduction (SCR) of NOx species. To understand …
processes including the selective catalytic reduction (SCR) of NOx species. To understand …
Nitrous oxide production from wastewater treatment: The potential as energy resource rather than potent greenhouse gas
Abstract Nitrous oxide (N 2 O), produced from wastewater treatment, is a potent greenhouse
gas and has become a global concern in recent years. However, N 2 O has also been …
gas and has become a global concern in recent years. However, N 2 O has also been …
Quasicatalytic and catalytic oxidation of methane to methanol by nitrous oxide over FeZSM-5 zeolite
MV Parfenov, EV Starokon, LV Pirutko, GI Panov - Journal of Catalysis, 2014 - Elsevier
Methane oxidation by N 2 O at 200° C and below was shown to proceed in a quasicatalytic
mode resulting in product accumulation on FeZSM-5 surface. Methanol that formed via …
mode resulting in product accumulation on FeZSM-5 surface. Methanol that formed via …
N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic …
The N2O decomposition over Fe-ferrierite, Fe-beta, and Fe-ZSM-5 has been recently studied
[K. Jisa, J. Novakova, M. Schwarze, A. Vondrova, S. Sklenak, Z. Sobalik, J. Catal. 262 (2009) …
[K. Jisa, J. Novakova, M. Schwarze, A. Vondrova, S. Sklenak, Z. Sobalik, J. Catal. 262 (2009) …
Stability of extraframework iron-containing complexes in ZSM-5 zeolite
The stability of oxygenated and hydroxylated iron complexes in Fe/ZSM-5 is studied by
periodic DFT calculations. The reaction paths for the interconversion of various potential iron …
periodic DFT calculations. The reaction paths for the interconversion of various potential iron …
Self-synthesis and performance analysis of a Cu-Fe composite ZSM-5 zeolitic catalyst for NOx reduction and particulate matter removal using NH3 SCR
S Shirke, FC Chou, YZ Wang, PC Cheng… - Journal of …, 2024 - Elsevier
The NH3-SCR has gained widespread usage due to its exceptional denitrification efficiency.
It achieves high nitrogen oxides (NOx) reduction rates within the temperature range of …
It achieves high nitrogen oxides (NOx) reduction rates within the temperature range of …
Stability and reactivity of active sites for direct benzene oxidation to phenol in Fe/ZSM-5: A comprehensive periodic DFT study
The stability of isolated extraframework Fe2+ ions in ZSM-5 zeolite and their reactivity in the
benzene to phenol oxidation were studied by periodic DFT calculations. Mononuclear iron …
benzene to phenol oxidation were studied by periodic DFT calculations. Mononuclear iron …
Ethylene epoxidation with nitrous oxide over Fe–BTC metal–organic frameworks: a DFT study
T Maihom, S Choomwattana, S Wannakao… - …, 2016 - Wiley Online Library
The epoxidation of ethylene with N2O over the metal‐organic framework Fe–BTC (BTC= 1,
3, 5‐benzentricarboxylate) is investigated by means of density functional calculations. Two …
3, 5‐benzentricarboxylate) is investigated by means of density functional calculations. Two …
Interaction between Ru and Co3O4 for promoted catalytic decomposition of N2O over the Rux-Co3O4 catalysts
C Sui, T Zhang, Y Dong, F Yuan, X Niu, Y Zhu - Molecular Catalysis, 2017 - Elsevier
A serial of Rux-Co 3 O 4 (x= 0.1, 0.2 and 0.3) catalysts were prepared by the coprecipitation
method and applied to the decomposition of N 2 O. They were characterized by the XRD …
method and applied to the decomposition of N 2 O. They were characterized by the XRD …
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
We integrate the all-electron electronic structure code FHI-aims into the general ChemShell
package for solid-state embedding quantum and molecular mechanical (QM/MM) …
package for solid-state embedding quantum and molecular mechanical (QM/MM) …