Tuesday, June 16, 2015: 10:20 AM
407 (Lawrence Convention Center)
Density functional theory calculations and microkinetic modeling are used to gain insights into the energetics and kinetics of methane-to-methanol conversion over various transition metal surfaces. We also identify potentially interesting catalyst materials based on the predicted catalytic activity and selectivity trends among the transition metal surfaces.
Extended Abstracts:
- NAM24_Extended_Abstract.pdf (334.0KB) - Extended Abstract