2014 AIChE Annual Meeting

Session: Computational Catalysis IV: Electro- and Photocatalysis

Computational Catalysis IV: Electro- and Photocatalysis

Chair

Mpourmpakis, G., University of Pittsburgh

Co-Chair

Xin, H., Stanford University

Presentations

12:30 PM

(320a) Density Functional Theory Study of CO2 Electrochemical Reduction on the Fe(100) Surface
Bernstein, N., Janik, M. J., Akhade, S.

12:52 PM

(320b) Thermochemical Descriptors for Unraveling Molecular Promoted CO2 Conversions
Keith, J.

01:14 PM

(320c) A DFT Study of Partial Oxidation of Methanol on MoO3(010)
Choksi, T. S., Greeley, J. P.

01:36 PM

(320d) First Principles Modeling of Surface Plasmon Dynamics and Mechanism for Photo-Catalytic Rate Enhancement
Morabito, M., Xin, H., Linic, S.

01:58 PM

(320e) Understanding Adsorbate-Specific Photocatalysis on Metal Surfaces
Avanesian, T., Kale, M., Christopher, P.

02:20 PM

(320f) Dehydrogenation of Water Species on Ni Catalysts from First Principles: Investigations of Electric Field Influence
McEwen, J. S., Che, F., Ha, S.

02:42 PM

(320g) Atomistic Simulations of Photocatalytic Water Splitting on Pt/TiO2
Chong, L., Dutt, M., Libring, S., Mushnoori, S.