Computational Catalysis II | AIChE

Other Sites & Tools

Technical Groups

Computational Catalysis II

Chair(s)

Thomson, K. T., Purdue University

Co-chair(s)

Santiso, E. E., Massachusetts Institute of Technology

TBA

Presentations

12:30 PM
(469a) First Principles Investigation of Water Dissociation on Cu, Au, and Pt-Group Metals
12:55 PM
(469b) Evaluating Uncertainty In Ab Initio Phase Diagrams of Oxygen on Pt and Au(111)
1:20 PM
(469c) Electrochemical Stability and Surface Segregation Tendencies of Core-Shell Structures. A Density Functional Theory Study
1:45 PM
(469d) A First Principles Study of the Poisoning Effects of Sulfur on Pt3Co(111)
2:10 PM
(469e) First Principles, Atomistic Thermodynamics for Sulfur Poisoning of Cu Water Gas Shift Catalysts
2:35 PM
(469f) DFT Estimation of the Adsorption Energy of CO on Ni, Ru and Rh Surfaces with Different Morphologies

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

More Conference Links