Theoretical investigation of the carbonyl-ene reaction between encapsulated formaldehyde and propylene over M-Cu-BTC paddlewheels (M= Be, Mg, and Ca): A DFT …
W Sangthong, J Sirijaraensre - Journal of Molecular Graphics and …, 2024 - Elsevier
Formaldehyde is a VOC gas that plays a key role in air pollution. To limit emissions into the
environment, the utilization of this waste as a raw material is a promising way. In this work …
environment, the utilization of this waste as a raw material is a promising way. In this work …
Charge Shielding Effect of Sodium Ions in Improving The Hydrophobicity and Performance of Co/Na‐SSZ‐13 Zeolite for Passive NOx Adsorber
Z Chen, Q Tao, L Yang, Y Qin… - Advanced Functional …, 2024 - Wiley Online Library
With increasingly stringent regulations, the reduction of NOx emissions during vehicle cold
start is a major challenge. Pd‐modified zeolites are considered as the most promising …
start is a major challenge. Pd‐modified zeolites are considered as the most promising …
Modulating the Iron Microenvironment for a Cooperative Interplay Between Fe‐N‐C Single Atoms and Fe3C Nanoclusters on the Oxygen Reduction Reaction
The coexistence of single atoms and nanoparticles is shown to increase the oxygen
reduction performance in Fe‐N‐C electrocatalysts, but the mechanisms underlying this …
reduction performance in Fe‐N‐C electrocatalysts, but the mechanisms underlying this …
Ab Initio Screening of Divalent Cations for CH4, CO2, H2, and N2 Separations in Chabazite Zeolite
The efficient separation and adsorption of critical gases are, more than ever, a major focus
point in important energy processes, such as CH4 enrichment of biogas or natural gas, CO2 …
point in important energy processes, such as CH4 enrichment of biogas or natural gas, CO2 …
A systematic DFT screening of cationic faujasite-type zeolites for the adsorption of NO, NO 2 and H 2 O
I Karamanis, A Daouli, H Monnier, MA Dziurla… - … Systems Design & …, 2023 - pubs.rsc.org
The limitation of NO and NO2 (NOx) emissions out of exhaust gases released from diesel
engines in confined environments requires efficient adsorbents. Since NOx species are …
engines in confined environments requires efficient adsorbents. Since NOx species are …
Influence of the Valence of Iron on the NO Reduction by CO over Cu-Fe-Mordenite
A comprehensive study of the catalytic properties of the copper-iron binary system supported
on mordenite, depending on the iron valence—CuFe2MOR and CuFe3MOR—was carried …
on mordenite, depending on the iron valence—CuFe2MOR and CuFe3MOR—was carried …
Effect of faujasite zeolites on the thermal stability and degradation kinetics of nitrocellulose
In the present work, to enhance the thermal stability of nitrocellulose (NC), the effect of
inorganic stabilizers, namely, Y-ammonium or Y-hydrogen zeolites, has been investigated …
inorganic stabilizers, namely, Y-ammonium or Y-hydrogen zeolites, has been investigated …
DFT Study of Chlorothalonil Adsorption on Illite Clay for Depollution
WG Kanhounnon, E Lokonon, OAAB N'Douro… - Chemistry Africa, 2024 - Springer
The use of pesticides such as chlorothalonil in agriculture allows agricultural production
intensification for satisfying the market demand. However, chlorothalonil utilization leads to …
intensification for satisfying the market demand. However, chlorothalonil utilization leads to …
[PDF][PDF] Ab initio exploration of materials for the detection and selective capture of iodine species and nitrogen oxide
A Daouli - 2023 - docnum.univ-lorraine.fr
Radioactive isotopes of iodine, such as 129I and 131I, are likely to be disseminated in the
environment after a serious nuclear accident or a leak in fuel reprocessing facilities, under …
environment after a serious nuclear accident or a leak in fuel reprocessing facilities, under …