AVS 65th International Symposium & Exhibition
    Surface Science Division Monday Sessions

Session SS+HC-MoA
Theory and Modeling of Surfaces and Reactions

Monday, October 22, 2018, 1:20 pm, Room 203C
Moderators: Liney Arnadottir, Oregon State University, Petra Reinke, University of Virginia


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  in Adobe Acrobat format  

Click a paper to see the details. Presenters are shown in bold type.

1:20pm SS+HC-MoA1 Invited Paper
Elucidating the Chemical Nature of Single-Site Catalysts from First Principles
A.J.R. Hensley, Washington State University, A.J. Therrien, Tufts University, R. Zhang, Washington State University, A.C. Schilling, Tufts University, K. Groden, Washington State University, E.C.H. Sykes, Tufts University, Jean-Sabin McEwen, Washington State University
2:00pm SS+HC-MoA3
Unravelling the Complex Features in STM Images of O/Ag(110) System
Takat B. Rawal, University of Central Florida, M. Smerieri, IMEM-CNR, UOS Genova, Italy, J. Pal, University of Genova, Italy, S. Hong, Brewton-Parker College, M. Alatalo, University of Oulu, Finland, L. Savio, L. Vattuone, University of Genova, Italy, T.S. Rahman, University of Central Florida, M. Rocca, University of Genova, Italy
2:20pm SS+HC-MoA4
First Principles Investigations on CO2 Adsorption and Dissociation on Cucluster / Cu(111) Surfaces: Influence of Co-adsorbed CO Molecule
Allan Abraham Padama, University of the Philippines Los Baños, Philippines, H. Nakanishi, H. Kasai, National Institute of Technology, Akashi College, Japan, J.D. Ocon, University of the Philippines Diliman, Philippines
2:40pm SS+HC-MoA5
Step-Spacing Distributions Revisited: New Motivations from Curved Crystals and Other Systems
Theodore L. Einstein, University of Maryland, College Park
3:40pm SS+HC-MoA8
Elucidating Mechanisms of Alkanol Catalysis on SrTiO3 Perovskite Surfaces using Density Functional Theory
Robert Chapleski, S. Roy, University of Tennessee Knoxville