26 research outputs found
Gold supported on CuOx/CeO2 catalyst for the purification of hydrogen by the CO preferential oxidation reaction (PROX)
DFT Modeling of CO<sub>2</sub> Interaction with Various Aqueous Amine Structures
In
this study, the interaction of CO<sub>2</sub> with aqueous monoethanolamine
(MEA), 2-amino-2-methyl-1-propanol (AMP), ethylenediamine (EDA), guanidine,
and tetramethylguanidine (TMG) was studied by using density functional
theory (DFT) modeling. MEA was chosen as the benchmark system, and
the reaction pathways of carbamate as well as bicarbonate formations
were analyzed thoroughly in order to evaluate the performances of
the amines involved in this study in terms of thermodynamics and reaction
kinetics. Among the materials considered, AMP was shown to be the
most promising one due to its decreased product stability
Knowledge Extraction from Catalysis of the Past: A Case of Selective CO Oxidation over Noble Metal Catalysts between 2000 and 2012
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy
Scanning tunneling spectroscopy has been used to analyze the structure of tris[4-(phenylazo)phenyl)]amine on a Au(111) surface. A degenerate marker state serves as a sensitive probe for the structure of the adsorbed molecules
DFT Calculation of Reaction Gibbs Energy of Reactions between Monoethanolamine and Carbon Dioxide in Aqueous Solution
Broken Symmetry of an Adsorbed Molecular Switch Determined by Scanning Tunneling Spectroscopy
Die Struktur von Tris[4-(phenylazo)phenyl)]amin auf einer Au(111)-Oberfläche wurde mit Rastertunnelspektroskopie untersucht. Ein entarteter Markerzustand dient als empfindliche Sonde für die Struktur der adsorbierten Moleküle