| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Powder Materials Processing and Fundamental Understanding
|
| Presentation Title |
Investigating the Stability and Electronic Structure of Chromium Copper Oxide Catalysts Using XPS and DFT Modeling |
| Author(s) |
Carlos Blank, Camilo Bedoya, Carlos Castano |
| On-Site Speaker (Planned) |
Carlos Blank |
| Abstract Scope |
Core/shell microparticles find wide applications in fields such as biomedicine, pharmaceuticals, catalysis, electronics, and photoluminescence enhancement. X-ray photoelectron spectroscopy (XPS) is a powerful technique for revealing surface information, including elemental composition, chemical states, empirical formulas, electronic states, and binding modes of surface ligands. This research project aims to thoroughly characterize Cu/Cr core/shell microparticles produced in our lab for catalysis applications using XPS. The XPS characterization will be complemented by theoretical density functional theory (DFT) modeling to test the hypothesis that the copper chromium oxide catalyst is stabilized by a complementary donor-acceptor pair formed by the copper and chromium ions. One of the main tasks is to study the stability and electronic structure of the chromium copper oxide solid. This comprehensive analysis will enable us to validate and predict the functionality and potential applications of these inorganic/inorganic core/shell microparticles more effectively. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Characterization, Computational Materials Science & Engineering, Copper / Nickel / Cobalt |