Ab Initio Molecular Design of Catalysts for Ethylene and Styrene Polymerization and Methane to Methanol Conversion
Joseph Han1, Kuo-Wei Huang2, Robert M. Waymouth3, Ankan Paul1 and Charles B. Musgrave4, (1)Chemical Engineering, Stanford University, 380 Roth Way, Stanford, CA 94305-5025, (2)Chemistry, Stanford University, Stauffer I, Stanford, CA 94305-5025, (3)Stanford University, Dept. of Chemistry, Stanford, CA 94305-5080, (4)Stanford University, Dept. of Chemical Engineering, Stanford, CA 94305-5025 |
First-Principles Design of Metal Alloy Catalysts for Electrocatalytic Methanol Oxidation
Matthew Neurock1, Michael J. Janik1 and Sally A. Wasileski2, (1)Chemical Engineering, University of Virginia, 102 Engineers' Way, PO Box 400741, Charlottesville, VA 22904, (2)University of Virginia, 102 Engineers' Way, Charlottesville, VA 22904-4741 |
Molecular Insight into Carbon Poisoning of Ni Surfaces: Dft-Guided Formulation of Carbon-Tolerant Steam Reforming Catalysts
Eranda Nikolla, Chemical Engineering, University of Michigan, 2300 Hayward, 3085 HH Dow, Ann Arbor, MI 48109, Johannes Schwank, Chemical Engineering, University of Michigan, 2300 Hayward, 3085 H H Dow, Ann Arbor, MI 48109 and Suljo Linic, Department of Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 |
Fuels and Chemicals from Low-Temperature Catalytic Conversion of Glycerol to Synthesis Gas
Ricardo R. Soares1, Dante A. Simonetti2 and James A. Dumesic2, (1)Faculdade de Engenharia Química, Universidade Federal de Uberlândia, Av. João Naves de Ávila 2121, Uberlandia, Brazil, (2)Department of Chemical and Biological Engineering, University of Wisconsin - Madison, 1415 Engineering Drive, Madison, WI 53706 |
Design of a Stable Mononuclear Supported Gold Catalyst on Cerium Oxide: Synthesis and Spectroscopic Characterization during Carbon Monoxide Oxidation Catalysis
Veronica I. Aguilar-Guerrero and Bruce C. Gates, Chemical Engineering and Materials Science, University of California at Davis, One Shield Avenue, Davis, CA 95616 |
An Ab-Initio Study of Methanol Synthesis on Cu Catalysts
Lars Grabow, Department of Chemical Engineering, UW-Madison, 1415 Engineering Dr., Madison, WI 53706 and Manos Mavrikakis, Department of Chemical Engineering, University of Wisconsin - Madison, 1415 Engineering Dr., Madison, WI 53706 |
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