Recent Publication in Nature Communications!
In this study, we created a machine learning-based force field and used it to examine the diffusion of [Cu(NH3)2]+ complexes within Cu-Chabazite, enabling simulations over…
Publications
CHASS is on the Research Features website “Keeping catalysts alive with the CHASS project”
The CHASS project tackles the harmful nitrogen oxides emissions from heavy-duty diesel vehicles by focusing on improving copper-based catalysts. These catalysts, crucial for reducing emissions,…
Our Recent review in ChemCatChem! “The [(NH3)4Cu2O2]2+_Peroxo Complex as the Key Intermediate for NH3‐SCR Activity and Deactivation of Cu‐CHA Catalysts”
Our latest review in ChemCatChem examines the significant role of the [(NH3)4Cu2O2]2±peroxo complex in NH3-SCR processes using Cu-CHA catalysts at low temperatures (150–300°C). This complex,…
“Mechanism for Cu-enhanced hydrothermal stability of Cu-CHA for NH3-SCR” Our Recent Research in Catalysis Science and Technology!
In this work, we use DFT calculations to compare the dealumination mechanisms in H–CHA and Cu–CHA and elucidate the enhanced hydrothermal stability of Cu–CHA. we…
New publication in Catalysis Science and Technology!
This article investigates the influence of SO2 exposure on Cu-CHA catalysts, which were pre-treated to ensure specific Cu speciations. We employed in situ diffuse reflectance UV-vis…
Announcing our latest publication in the Journal of Physical Chemistry C!
This study investigates the commonly used H2-TPR procedure, combining first principle calculations to unravel the Cu ions responsible for H2 consumption. “Interpretation of H2-TPR from…