Catalysis and Chemical Reaction Dynamics

Presentations

• Room-temperature self-cleaning molecular sensing by catalytic reactions

  ORAL

  March 22, 2013, 11:15 AM – March 22, 2013, 11:27 AM

  Authors

  • Keith H. Warnick

    • Dept. of Phys. and Astr., Vanderbilt University

  • Bin Wang

    • Dept. of Phys. and Astr., Vanderbilt University
    • Vanderbilt University

  • David E. Cliffel

    • Dept. of Chem., Vanderbilt University

  • David W. Wright

    • Dept. of Chem., Vanderbilt University

  • R.F. Haglund

    • Dept. of Phys. and Astr., Vanderbilt University
    • Vanderbilt University

  • Sokrates Pantelides

    • Dept. of Phys. and Astr., Vanderbilt University
    • Vanderbilt University

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• A density functional theory study of structure-property relationships for Pt-Ni alloy catalysts

  ORAL

  March 22, 2013, 11:27 AM – March 22, 2013, 11:39 AM

  Authors

  • Liang Cao

    • Department of Materials Science and Engineering, Johns Hopkins University
    • Department of Physics and Astronomy, Johns Hopkins Univesity

  • Liang Cao

    • Department of Materials Science and Engineering, Johns Hopkins University
    • Department of Physics and Astronomy, Johns Hopkins Univesity

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• First-principles design of a dynamically tunable catalyst for CO$_{2}$ capture and conversion

  ORAL

  March 22, 2013, 11:39 AM – March 22, 2013, 11:51 AM

  Authors

  • Babatunde Alawode

    • Massachusetts Institute of Technology

  • Alexie Kolpak

    • Massachusetts Institute of Technology
    • Department of Mechanical Engineering, Massachusetts Institute of Technology
    • MIT

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• Preferential condensation of $\beta$ RDX on In metal surfaces

  ORAL

  March 22, 2013, 11:51 AM – March 22, 2013, 12:03 PM

  Authors

  • Terrence Jach

    • NIST, Gaithersburg, MD

  • Ilana G. Goldberg

    • Transportation Security Laboratory, Atlantic City, NJ

  • Fernando D. Vila

    • Dept. of Physics, U. of Washington, Seattle, WA

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• Catalytic properties of Pt nanoclusters on defective graphene

  ORAL

  March 22, 2013, 12:03 PM – March 22, 2013, 12:15 PM

  Authors

  • Ioanna Fampiou

    • University of Massachusetts Amherst

  • Ashwin Ramasubramaniam

    • University of Massachusetts Amherst

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• Catalytic Role of Au Nanowires

  ORAL

  March 22, 2013, 12:15 PM – March 22, 2013, 12:27 PM

  Authors

  • Edison da Silva

    • Institute of Physics ``Gleb Wataghin'', UNICAMP, 13083-970, Campinas - SP, Brazil

  • Ana Paula F. Nascimento

    • Institute of Physics ``Gleb Wataghin'', UNICAMP, 13083-970, Campinas - SP, Brazil

  • Miguel A. San-Miguel

    • Physical Chemistry Department, University of Seville, E41012, Seville, Spain

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• Rationale for the high reactivity of the interfacial sites in methanol reaction on Au/TiO2(110)

  ORAL

  March 22, 2013, 12:27 PM – March 22, 2013, 12:39 PM

  Authors

  • Sampyo Hong

    • University of Central Florida

  • Talat S. Rahman

    • University of Central Florida
    • Department of Physics and NanoScience Technology Center, University of Central Florida, Orlando, FL
    • Department of Physics, University of Central Florida, Orlando, FL 32816

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• Dispersion-corrected first-principles calculation of terahertz vibration, and evidence for weak hydrogen bond formation

  ORAL

  March 22, 2013, 12:39 PM – March 22, 2013, 12:51 PM

  Authors

  • Masae Takahashi

    • Tohoku University

  • Yoichi Ishikawa

    • Tohoku University

  • Hiromasa Ito

    • RIKEN

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• Superior Long range Electric Transport of Organometallic Wire via Stepping Stone mechanism and First Principles Study of Length dependence of Thermoelectric Effects

  ORAL

  March 22, 2013, 12:51 PM – March 22, 2013, 1:03 PM

  Authors

  • Hisao Nakamura

    • The National Institute of Advanced Industrial Science and Technology (AIST)

  • Takao Ishida

    • The National Institute of Advanced Industrial Science and Technology (AIST)

  • Yoshihiro Asai

    • The National Institute of Advanced Industrial Science and Technology (AIST)
    • Nanosystem Research Institute (NRI) ``RICS'', AIST, Tsukuba, Ibaraki 305-8568, Japan

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• Oxygen Molecule Adsorption and Dissociation on Boron-doped Fullerene BC$_{59}$

  ORAL

  March 22, 2013, 1:03 PM – March 22, 2013, 1:15 PM

  Authors

  • Shizhong Yang

    • Southern University and A\&M College

  • Lei Zhao

    • Southern University and A\&M College

  • Feng Gao

    • Southern University and A\&M College

  • Guang-Lin Zhao

    • Southern University and A\&M College

  • Ebrahim Khosravi

    • Southern University and A\&M College

  • Diola Bagayoko

    • Southern University and A\&M College

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• Reaction Energies of Oxides using Random Phase Approximation

  ORAL

  March 22, 2013, 1:15 PM – March 22, 2013, 1:27 PM

  Authors

  • Jun Yan

    • Stanford University

  • Jens Hummelshoej

    • Stanford University

  • Jens N{\O}rskov

    • Stanford University

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• Oxygen vacancy formation in doped ceria: Effects of electron localization and ion local distortion

  ORAL

  March 22, 2013, 1:27 PM – March 22, 2013, 1:39 PM

  Authors

  • Zhenpeng Hu

    • Nankai University

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• Two-State Reactivity in Hydrocarbon Oxidation by FeO$+$: New Insight through Temperature Dependent Kinetics

  ORAL

  March 22, 2013, 1:39 PM – March 22, 2013, 1:51 PM

  Authors

  • Shaun Ard

    • AFRL

  • Josh Melko

    • AFRL

  • Nick Shuman

    • AFRL

  • Albert Viggiano

    • AFRL

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• Charge relaxation dynamics of an electrolytic nanocapacitor

  ORAL

  March 22, 2013, 1:51 PM – March 22, 2013, 2:03 PM

  Authors

  • Vaibhav Thakore

    • Department of Physics and NanoScience Technology Center, University of Central Florida, Orlando FL

  • James Hickman

    • Department of Physics and NanoScience Technology Center, University of Central Florida, Orlando FL

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