Monday, February 27, 2012
2:30PM - 3:06PM
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D26.00001: Design Principles for Oxygen Reduction and Evolution on Oxide Catalysts
Invited Speaker:
Yang Shao-Horn
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Monday, February 27, 2012
3:06PM - 3:18PM
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D26.00002: Modeling of hydrogen evolution reaction on the surface of GaInP$_{2}$
Woon Ih Choi, Brandon Wood, Eric Schwegler, Tadashi Ogitsu
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Monday, February 27, 2012
3:18PM - 3:30PM
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D26.00003: ABSTRACT WITHDRAWN
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Monday, February 27, 2012
3:30PM - 3:42PM
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D26.00004: In situ Raman Evidence for Reversible Room-Temperature Hydrogenation in Pt-doped Carbons
Xiaoming Liu, Youjian Tang, Enshi Xu, Thomas Fitzgibbons, Huan-Hsiung Tseng, Ming-Sheng Yu, Cheng-Si Tsao, John Badding, Vincent Crespi, Angela Lueking
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Monday, February 27, 2012
3:42PM - 3:54PM
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D26.00005: Hydrogen storage on calcium coated boron (hetero-)fullerenes: A DFT study
Suleyman Er, Geert Brocks, Gilles A. de Wijs
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Monday, February 27, 2012
3:54PM - 4:06PM
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D26.00006: Role of nano in catalysis: Pd catalyzed H desorption from MgH$_{2}$
Weiyu Xie, Damien West, Yiyang Sun, Shengbai Zhang
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Monday, February 27, 2012
4:06PM - 4:18PM
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D26.00007: Particle-size dependence of the activation energy for decomposition of lithium amide
Chris Van de Walle, Khang Hoang, Anderson Janotti
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Monday, February 27, 2012
4:18PM - 4:30PM
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D26.00008: Deliquescence of NaBH$_4$ computed from density functional theory
Ping Li, Wissam Al-Saidi, Karl Johnson
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Monday, February 27, 2012
4:30PM - 4:42PM
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D26.00009: Electronic Structure and Molecular Dynamics Calculations for KBH$_{4}$
Dimitrios Papaconstantopoulos, Andrew Shabaev, Khang Hoang, Michael Mehl, Nicholas Kioussis
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Monday, February 27, 2012
4:42PM - 4:54PM
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D26.00010: Dehydrogenation of LiBH$_4$ nanoclusters: A first-principles study
Ebrahim Hazrati, Filipe Vasconcelos, Geert Brocks, Robert de Groot, Gilles de Wijs
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Monday, February 27, 2012
4:54PM - 5:06PM
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D26.00011: First-principles Modeling of Diffusion during Hydrogenation of LiBH$_4$
Chao Yu, Vidvuds Ozolins
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Monday, February 27, 2012
5:06PM - 5:18PM
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D26.00012: Bulk diffusion of defects in LiAlH4/Li3AlH6
Biljana Rolih, Vidvuds Ozolins
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Monday, February 27, 2012
5:18PM - 5:30PM
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D26.00013: First-Principles Study of the Li-Na-Ca-N-H System: Compound Structures and Hydrogen-Storage Properties
Pattanasak Teeratchanan, Fei Zhou, Kyle Michel, Vidvuds Ozolins
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