Friday, March 22, 2013
11:15AM - 11:27AM
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Z43.00001: Room-temperature self-cleaning molecular sensing by catalytic reactions
Keith H. Warnick, Bin Wang, David E. Cliffel, David W. Wright, Richard F. Haglund, Sokrates T. Pantelides
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Friday, March 22, 2013
11:27AM - 11:39AM
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Z43.00002: A density functional theory study of structure-property relationships for Pt-Ni alloy catalysts
Liang Cao, Tim Mueller
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Friday, March 22, 2013
11:39AM - 11:51AM
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Z43.00003: First-principles design of a dynamically tunable catalyst for CO$_{2}$ capture and conversion
Babatunde Alawode, Alexie Kolpak
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Friday, March 22, 2013
11:51AM - 12:03PM
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Z43.00004: Preferential condensation of $\beta$ RDX on In metal surfaces
Terrence Jach, Ilana G. Goldberg, Fernando D. Vila
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Friday, March 22, 2013
12:03PM - 12:15PM
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Z43.00005: Catalytic properties of Pt nanoclusters on defective graphene
Ioanna Fampiou, Ashwin Ramasubramaniam
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Friday, March 22, 2013
12:15PM - 12:27PM
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Z43.00006: Catalytic Role of Au Nanowires
Edison da Silva, Ana Paula F. Nascimento, Miguel A. San-Miguel
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Friday, March 22, 2013
12:27PM - 12:39PM
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Z43.00007: Rationale for the high reactivity of the interfacial sites in methanol reaction on Au/TiO2(110)
Sampyo Hong, Talat Rahman
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Friday, March 22, 2013
12:39PM - 12:51PM
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Z43.00008: Dispersion-corrected first-principles calculation of terahertz vibration, and evidence for weak hydrogen bond formation
Masae Takahashi, Yoichi Ishikawa, Hiromasa Ito
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Friday, March 22, 2013
12:51PM - 1:03PM
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Z43.00009: Superior Long range Electric Transport of Organometallic Wire via Stepping Stone mechanism and First Principles Study of Length dependence of Thermoelectric Effects
Hisao Nakamura, Takao Ishida, Yoshihiro Asai
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Friday, March 22, 2013
1:03PM - 1:15PM
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Z43.00010: Oxygen Molecule Adsorption and Dissociation on Boron-doped Fullerene BC$_{59}$
Shizhong Yang, Lei Zhao, Feng Gao, Guang-Lin Zhao, Ebrahim Khosravi, Diola Bagayoko
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Friday, March 22, 2013
1:15PM - 1:27PM
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Z43.00011: Reaction Energies of Oxides using Random Phase Approximation
Jun Yan, Jens Hummelshoej, Jens N{\O}rskov
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Friday, March 22, 2013
1:27PM - 1:39PM
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Z43.00012: Oxygen vacancy formation in doped ceria: Effects of electron localization and ion local distortion
Zhenpeng Hu
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Friday, March 22, 2013
1:39PM - 1:51PM
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Z43.00013: Two-State Reactivity in Hydrocarbon Oxidation by FeO$+$: New Insight through Temperature Dependent Kinetics
Shaun Ard, Josh Melko, Nick Shuman, Albert Viggiano
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Friday, March 22, 2013
1:51PM - 2:03PM
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Z43.00014: Charge relaxation dynamics of an electrolytic nanocapacitor
Vaibhav Thakore, James Hickman
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