732 Fundamentals of Catalysis IV: Surface Reactivity


Description:
The session is focused on intrinsic kinetics and reaction pathways on surfaces with studies on surface science, modeling and catalytic reactions. Specific topics include: adsorption of reactants; identification of transition states; electronic structure and geometry of catalytic surfaces; and development of experimental and theoretical methods.

Sponsor:
Catalysis and Reaction Engineering Division


Chair:
Tej S. Choksi
Postdoctoral Researcher
Stanford University
SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering
480 Stadium Mall Drive
Stanford, CA
47907
Phone Number: 7652696728
Email: tchoksi@stanford.edu

Co-Chair:
Derek Falcone
Apeel

Email: derek.falcone@apeelsciences.com


Papers:
732a
Accurate Adsorbate Free Energies from First-Principles
Prateek Mehta, University of Notre Dame; Anshumaan Bajpai, University of Notre Dame; Kurt Frey, University of Notre Dame; Andrew Lehmer, University of Notre Dame; Gray Laughlin, University of Notre Dame; William F. Schneider, University of Notre Dame
732b
Defining and Counting Site Requirements for Reactions on Curved and Crowded Surfaces
David Hibbitts, University of Florida; Abdulrahman S. Almithn, University of Florida; David W. Flaherty, University of Illinois, Urbana-Champaign; Jianwei Liu, University of California; Enrique Iglesia, University of California, Berkeley
732c
Tuning the Surface Reactivity of Intermetallic Compounds Towards Carbon, Oxygen, and Hydrogen to Affect CO vs. CO2 Production in Wet Reforming of Hydrocarbons and Oxygenates
Yuanjun Song, University of Tennessee; Yang He, University of Tennessee; Siris Laursen, University of Tennessee
732d
Amination of 1-Hexanol over Au-Pd/TiO2 Catalysts Prepared By Controlled Surface Reactions
Madelyn R Ball, University of Wisconsin-Madison; Thejas S. Wesley, University of Wisconsin-Madison; Keishla R. Rivera-Dones, University of Wisconsin-Madison; George W. Huber, University of Wisconsin-Madison; James A. Dumesic, University of Wisconsin-Madison
732e
Structure Sensitivity Analysis of Propane Dehydrogenation(PDH) on Palladium Alloys
Ranga Rohit Seemakurthi, Purdue University; Fabio H. Ribeiro, Purdue University; Jeffrey Greeley, Purdue University
732f
Adsorption and Reaction of Furfuryl Alcohol on Pt(111): A Comparison Study to Pd(111)
Lesli Mark, University of Colorado, Boulder; Alexander H. Jenkins, University of Colorado, Boulder; Hendrik Heinz, University of Colorado Boulder; Will Medlin, University of Colorado
732g
Kinetics and Mechanism of Aspartic Acid Adsorption and Its Explosive Decomposition on Cu(100)
Burcu Karagoz, Carnegie Mellon University; Aaron Reinicker, Carnegie Mellon University; A.J. Gellman, Carnegie Mellon University
732h
Density Functional Theory Study of the Effect of Step Edges on α-Fe2O3 Surfaces on Cl-Surface Interactions and the Cl-Induced Depassivation Process
Qin Pang, Oregon State University; Hossein DorMohammadi, Oregon State University; O. Burkan Isgor, Oregon State Univesity; Liney Arnadottir, Oregon State University
Abstract Submissions Closed
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