A5002728025- Catalytic Processes in Materials Science
- Catalysis and Oxidation Reactions
- Electrocatalysts for Energy Conversion
- Nanofabrication and Lithography Techniques
- Laser Material Processing Techniques
- Microfluidic and Bio-sensing Technologies
- 3D Printing in Biomedical Research
- Microfluidic and Capillary Electrophoresis Applications
Universitat de Barcelona
2004-2023
CO molecules can be efficiently oxidized over Pt/CeO2 catalysts, but the stability and reactivity of different states Pt in catalysts are still unclear. Here we combine experimental computational methods to characterize subjected reductive oxidative pre-treatments exposed oxidation reaction conditions. Particles metallic Pt, known catalytically active at elevated temperature, shown precursors for formation, under operando conditions, more stable PtOx particles that enable below room...
Nanostructured materials based on CeO2 and Pt play a fundamental role in catalyst design. However, their characterization is often challenging due to structural complexity the tendency of these change under reaction conditions. In this work, we combine calculations density functional theory, machine-learning assisted global optimization method, ab initio thermodynamics characterize stable oxidation states ceria-supported PtyOx particles different environmental The collection minima...
Nanostructured materials based on non-inert oxides CeO2 and PtyOx play a fundamental role in catalyst design. However, their characterization is often challenging due to structural complexity the tendency of change under reaction conditions. In this work, we combine calculations density functional theory, machine-learning assisted global optimization method (GOFEE) ab initio thermodynamics characterize stable oxidation states ceria-supported clusters different environments. The collection...
Nanostructured materials based on non-inert oxides CeO2 and PtyOx play a fundamental role in catalyst design. However, their characterization is often challenging due to structural complexity the tendency of change under reaction conditions. In this work, we combine calculations density functional theory, machine-learning assisted global optimization method (GOFEE) ab initio thermodynamics characterize stable oxidation states ceria-supported clusters different environments. The collection...