2014 AIChE Annual Meeting

Session: Computational Catalysis IV: Electro- and Photocatalysis

Computational Catalysis IV: Electro- and Photocatalysis

Chair

Giannis Mpourmpakis, University of Pittsburgh

Co-Chair

Hongliang Xin, Stanford University

Presentations

12:30 PM

(320a) Density Functional Theory Study of CO2 Electrochemical Reduction on the Fe(100) Surface
Nicole Bernstein, Michael J. Janik, Sneha Akhade

12:52 PM

(320b) Thermochemical Descriptors for Unraveling Molecular Promoted CO2 Conversions
John Keith

01:14 PM

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

01:36 PM

(320d) First Principles Modeling of Surface Plasmon Dynamics and Mechanism for Photo-Catalytic Rate Enhancement
Matthew Morabito, Hongliang Xin, Suljo Linic

01:58 PM

(320e) Understanding Adsorbate-Specific Photocatalysis on Metal Surfaces
Talin Avanesian, Matthew Kale, Phillip Christopher

02:20 PM

(320f) Dehydrogenation of Water Species on Ni Catalysts from First Principles: Investigations of Electric Field Influence
Jean-Sabin McEwen, Fanglin Che, Su Ha

02:42 PM

(320g) Atomistic Simulations of Photocatalytic Water Splitting on Pt/TiO2
Leebyn Chong, Meenakshi Dutt, Sarah Libring, Srinivas Mushnoori