ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales
We combine automatic process exploration with an iteratively trained machine-learning
interatomic potential to systematically identify elementary processes occurring during the …
interatomic potential to systematically identify elementary processes occurring during the …
Thermodynamic Equilibrium versus Kinetic Trapping: Thermalization of Cluster Catalyst Ensembles Can Extend Beyond Reaction Time Scales
The fluxionality of sub-nanocluster catalysts is essential to understand their behavior at an
atomistic level. Up until now, when it has been considered, fluxionality has been treated …
atomistic level. Up until now, when it has been considered, fluxionality has been treated …
Size-dependent effects of Ge addition on the coking and sintering tendency of PtnGex/alumina (n= 4, 7, 11) model catalysts
The reactivity and adsorbate binding properties of alumina-supported Ptn and PtnGem
(n/m= 4/1, 7/2, 11/4) model catalysts were studied using a combination of ethylene and CO …
(n/m= 4/1, 7/2, 11/4) model catalysts were studied using a combination of ethylene and CO …
Beyond Boltzmann: thermalization of cluster catalyst ensembles can extend beyond reaction timescales
The fluxionality of subnanocluster catalysts is essential for understanding their be-havior at
an atomistic level. Up until now, when it is at all considered, fluxionality has been treated …
an atomistic level. Up until now, when it is at all considered, fluxionality has been treated …
Análisis descriptivo, predictivo y causal de la síntesis termocatalítica de CH3OH a partir de CO2 e H2 mediante el empleo de inteligencia artificial para proveer …
JD Pulla Pasan, CF Sarango Condolo - 2023 - dspace.ucuenca.edu.ec
Thermocatalytic hydrogenation of CO2 to methanol is a promising technology in the fight
against climate change. This process helps to reduce CO2 emissions by transforming it into …
against climate change. This process helps to reduce CO2 emissions by transforming it into …