Tuesday, February 28, 2012
11:15AM - 11:51AM
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J36.00001: Tailoring Surface Chemical Properties Using Electronic Structure Theory
Invited Speaker:
Jens Norskov
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Tuesday, February 28, 2012
11:51AM - 12:03PM
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J36.00002: Ab initio reaction pathways for dissociative adsorption of dioxygen on Al (111)
Florian Libisch, Chen Huang, Peilin Liao, Michele Pavone, Emily Carter
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Tuesday, February 28, 2012
12:03PM - 12:39PM
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J36.00003: Alkane and CO$_{2}$ Activation by Modified Oxide Catalysts
Invited Speaker:
Horia Metiu
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Tuesday, February 28, 2012
12:39PM - 12:51PM
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J36.00004: First-principles calculations of Fischer-Tropsch processes catalyzed by nitrogenase enzymes
Joel Varley, Lars Grabow, Jens N{\O}rskov
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Tuesday, February 28, 2012
12:51PM - 1:03PM
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J36.00005: Low-temperature dehydrogenation catalysis of isophorone (C$_9$H$_{14}$O) on Pd(111)
Xinguo Ren, Wei Liu, Aditya Savara, Wiebke Ludwig, Karl-Heinz Dostert, Swetlana Schauermann, Alexandre Tkatchenko, Hans-Joachim Freund, Matthias Scheffler
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Tuesday, February 28, 2012
1:03PM - 1:39PM
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J36.00006: Interfacial binding in catalytic and photovoltaic materials, and the energetics of elementary surface processes during catalytic fuels production and utilization
Invited Speaker:
Charles T. Campbell
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Tuesday, February 28, 2012
1:39PM - 1:51PM
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J36.00007: Ab initio modeling of EXAFS spectra of nanoparticles
Samuel Chill, Aaron Yevik, Anatoly Frenkel, Graeme Henkelman
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Tuesday, February 28, 2012
1:51PM - 2:03PM
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J36.00008: Predicting the Catalytic Reactions using Random Phase Approximation
J. Yan, T. Olsen, J.J. Mortensen, K.W. Jacobsen, K.S. Thygesen, F. Abild-Pedersen, J.K. Norskov
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Tuesday, February 28, 2012
2:03PM - 2:15PM
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J36.00009: In situ XAS of Pt monolayer model fuel cell catalysts: balance of na-nostructure and bimetallic interactions
Daniel Friebel, Venkat Viswanathan, Ask Larsen, Daniel J. Miller, Hirohito Ogasawara, Toyli Anniyev, Christopher P. O'Grady, Jens N{\O}rskov, Anders Nilsson
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