Thursday, June 18, 2015: 2:50 PM
408-410 (Lawrence Convention Center)
One of the first and important steps in the syngas to ethanol conversion process is carbon monoxide (CO) adsorption on the metal catalyst. Computational models were developed using first principle methods employing Density Functional Theory (DFT) to help understand CO adsorption energetics and surface coverage effects on a Co7Pd6 catalyst.
Extended Abstracts:
- Gundamaraju_NAM24.pdf (121.3KB) - Extended Abstract