320 Computational Catalysis IV: Electro- and Photocatalysis

Tuesday, November 18, 2014: 12:30 PM
307 (Hilton Atlanta)
Description:
Computational Catalysis IV: Electro- and Photocatalysis

Sponsor:
Catalysis and Reaction Engineering Division

Chair:
Giannis Mpourmpakis
Email: gmpourmp@pitt.edu

Co-Chair:
Hongliang Xin
Email: hxin@stanford.edu


12:30 PM
(320a) Density Functional Theory Study of CO2 Electrochemical Reduction on the Fe(100) Surface
Nicole Bernstein, Sneha Akhade and Michael J. Janik

12:52 PM
(320b) Thermochemical Descriptors for Unraveling Molecular Promoted CO2 Conversions
John A. Keith

1:14 PM
(320c) A DFT Study of Partial Oxidation of Methanol on MoO3(010)
Tej S. Choksi and Jeffrey P. Greeley

1:36 PM
(320d) First Principles Modeling of Surface Plasmon Dynamics and Mechanism for Photo-Catalytic Rate Enhancement
Matthew Morabito, Hongliang Xin and Suljo Linic

1:58 PM
(320e) Understanding Adsorbate-Specific Photocatalysis on Metal Surfaces
Talin Avanesian, Matthew Kale and Phillip Christopher

2:20 PM
(320f) Dehydrogenation of Water Species on Ni Catalysts from First Principles: Investigations of Electric Field Influence
Fanglin Che, Su Ha and Jean-Sabin McEwen

2:42 PM
(320g) Atomistic Simulations of Photocatalytic Water Splitting on Pt/TiO2
Leebyn Chong, Srinivas Mushnoori, Sarah Libring and Meenakshi Dutt
See more of this Group/Topical: Catalysis and Reaction Engineering Division
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