A First Principles Study of the Effects of Sulfur Adsorption on the Activity of Pt, Ni and Pt3Ni
Devina Pillay and Michelle D. Johannes, Naval Research Laboratory, 4555 Overlook Ave. S.W., Washington, DC 20375 |
Adsorbate-Adsorbate Interactions On Surfaces: First Principles Studies Of Alkali Promotion In Chemical Reaction On Metal Surfaces
Suljo Linic, Joydeep Mukherjee and Hongliang Xin, Department of Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 |
Ab-Initio All Electron Relativistic Calculations for Co-Pt3Sn(111) System for Preferential Oxidation of Co
Aslihan Sümer and A.Erhan Aksoylu, Chemical Engineering, Bogaziçi University, 34342 Bebek, Istanbul, Turkey |
A Comparative Theoretical Study Of Methanol Oxidation On Isolated Vanadate Species Supported On Silica And Titania
Anthony Goodrow, Department of Chemical Engineering, University of California, Berkeley, 201 Gilman Hall, University of California, Berkeley, Berkeley, CA 94720-1462 and Alexis T. Bell, Department of Chemical Engineering, University of California, Berkeley, 107 Gilman Hall, University of California, Berkeley, CA 94720-1462 |
Accelerated Molecular Dynamics Simulation Of Temperature Programmed Desorption
Kelly E. Becker, Dept. of Chemical Engineering, The Pennsylvania State University, 20 Fenske Laboratory, University Park, PA 16802 and Kristen A. Fichthorn, Dept. of Chemical Engineering, The Pennsylvania State University, 164 Fenske Laboratory, University Park, PA 16802 |
Mechanistic Insights On Fischer-Tropsch Synthesis
Rahul P. Nabar1, Anand U. Nilekar1, Manos Mavrikakis1, Manuel Ojeda2, Akio Ishikawa2 and Enrique Iglesia2, (1)Department of Chemical and Biological Engineering, University of Wisconsin - Madison, 1415 Engineering Drive, Madison, WI 53706, (2)Dept. of Chemical Engineering, University of California, Berkeley, CA 94720 |
Unique Hydrogen Configuration On TiO2(110) Upon Carboxylic Acid Dissociation
N. Aaron Deskins1, Marjorie Langell2, Michel Dupuis1, Igor Lyubinetsky1, Yingge Du1 and Mike A. Henderson1, (1)Chemical and Materials Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, WA 99352, (2)Department of Chemistry, University of Nebraska, Lincoln, NE 68588-0304 |
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