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MRS Fall 2009 Meeting Logo

2009 MRS Fall Meeting & Exhibit

November 30 - December 4, 2009 | Boston
Meeting Chairs
: Kristi Anseth, Li-Chyong Chen, Peter Gumbsch, Ji-Cheng Zhao

Symposium W : Hydrogen Storage Materials

2009-11-30   Show All Abstracts

Symposium Organizers

Etsuo Akiba National Institute of Advanced Industrial Science and Technology
William Tumas National Renewable Energy Laboratory
Ping Chen National University of Singapore
Maximilian Fichtner Karlsruhe Institute of Technology
Shengbai Zhang Rensselaer Polytechnic Institute
W1: Computation
Session Chairs
Jisoon Ihm
Shengbai Zhang
Zhenyu Zhang
Monday PM, November 30, 2009
Back Bay D (Sheraton)

9:15 AM - **W1.1
First-Principles Discovery of Novel Hydrogen Storage Materials and Reactions.

Christopher Wolverton 1
1 Materials Science and Engineering, Northwestern University, Evanston, Illinois, United States

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9:45 AM - **W1.2
Recent Development in Designing Metal-decorated Hydrogen-storage Nanostructures.

Jisoon Ihm 1
1 Physics , Seoul National University, Seoul Korea (the Republic of)

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10:15 AM - **W1.3
Design Principles of Exposed Metal-Organic Frameworks toward Enhanced Hydrogen Physisorption.

Yong-Hyun Kim 1
1 Graduate School of Nanoscience and Technology (WCU), Korea Advanced Institute of Science and Technology, Daejeon Korea (the Republic of)

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10:45 AM - W1.4
On Accuracy of Density Functionals for Designing Molecular Hydrogen Storage Materials.

Yiyang Sun 1 , Kyuho Lee 2 , Lu Wang 1 3 , Zhongfang Chen 4 , Shengbai Zhang 1
1 Physics, Rensselaer Polytechnic Institute, Troy, New York, United States, 2 Physics, Rutgers University, Piscataway, New Jersey, United States, 3 Physics, Dalian University of Science and Technology, Dalian China, 4 Chemistry, University of Puerto Rico, San Juan, Puerto Rico, United States

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11:00 AM - *
Break

11:30 AM - **W1.5
Predictive Modeling of Low-Dimensional Materials for Solar Energy Conversion and Storage.

Zhenyu Zhang 1
1 Department of Physics and Astronomy, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States

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12:00 PM - W1.6
First Principles Simulations of Hydrogen Storage via Spillover in MOF-5.

Don Siegel 1 2
1 Mechanical Engineering, University of Michigan, Ann Arbor, Michigan, United States, 2 , Ford Motor Company, Dearborn, Michigan, United States

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12:15 PM - W1.7
First Principles Calculations on Storage Capacity of Hydrogen Storage Materials.

Hiroshi Mizuseki 1 , Natarajan Venkataramanan 1 , Ryoji Sahara 1 , Yoshiyuki Kawazoe 1
1 , Institute for Materials Research, Tohoku Univ., Sendai, Miyagi, Japan

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12:30 PM - W1.8
A Comparison of Atomistic Modeling of Hydrogen Adsorption in Nanoporous Carbon with Recent Experimental Results.

Lujian Peng 1 , James Morris 2 1 , Vinay Bhat 2 , Cristian Contescu 2 , Nidia Gallego 2 , Wojtek Dmowski 1 , Takeshi Egami 1 2
1 , University of Tennessee, Knoxville, Tennessee, United States, 2 Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States

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12:45 PM - W1.9
Room Temperature Hydrogen Storage Via a Kubas-like Interaction in Titanium-Doped Silica (Ti-HMS): A Combined Experimental and Theoretical Investigation.

Jason Simmons 1 , Taner Yildirim 1 2 , Ahmad Hamaed 3 , David Antonelli 3
1 NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland, United States, 2 Department of Materials Science, University of Pennsylvania, Philadelphia, Pennsylvania, United States, 3 Department of Chemistry and Biochemistry, University of Windsor, Windsor, Ontario, Canada

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W2: Adsorption
Session Chairs
Jisoon Ihm
Don Siegel
Monday PM, November 30, 2009
Back Bay D (Sheraton)

2:30 PM - **W2.1
Hydrogen Sorption Materials Development.

Lin Simpson 1 , A. Dillon 1 , T. Gennett 1 , K. O'Neill 1 , C. Engtrakul 1 , J. Blackburn 1 , Y. Zhao 1 , J. Bult 1 , A. Groves 1 , P. Parilla 1 , E. Whitney 1 , C. Curtis 1 , Y. Kim 2 , S. Zhang 3 , M. Heben 4
1 , NREL, Golden, Colorado, United States, 2 , Korea Advanced Institute of Science and Technology, Seoul Korea (the Republic of), 3 , Rensselaer Polytechnic Institute, Troy, New York, United States, 4 , University of Toledo, Toledo, Ohio, United States

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3:00 PM - W2.2
Metal Supported Nanocones for Hydrogen Spillover: Optimizing Metal Dispersion.

Paolo Matelloni 1 , Gavin Walker 1 , David Grant 1
1 Dept of Mechanical, Materials and Manuf. Engineering, University of Nottingham, Nottingham United Kingdom

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3:15 PM - W2.3
Hydrogen Binding Energy Tuning with the Interlayer Distance of Metal Intercalated Graphite.

Aditi Herwadkar 1 , Yufeng Zhao 1
1 , NREL, Golden , Colorado, United States

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3:30 PM - W2.4
Hydrogen Adsorption in Nanostructured Graphite Intercalation Compounds from Electrospun Polymer Nanofibers.

Arthur Lovell 1 3 , Zeynep Kurban 1 3 , Derek Jenkins 2 , Stephen Bennington 1 3 , Neal Skipper 3 , Felix Fernandez-Alonso 1 3
1 ISIS, STFC Rutherford Appleton Laboratory, Didcot United Kingdom, 3 London Centre for Nanotechnology, University College London, London United Kingdom, 2 Micro and Nano Technology Centre, STFC Rutherford Appleton Laboratory, Didcot United Kingdom

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3:45 PM - W2.5
Exploration of Hydrogen Molecule Binding in Covalent Organic Framework-1 through Ab initio Calculations.

Ralph Scheicher 1 , Pornjuk Srepusharawoot 1 2 , C. Moyses Araujo 1 3 , Andreas Blomqvist 1 , Udomsilp Pinsook 4 5 , Rajeev Ahuja 1 3
1 Condensed Matter Theory Group, Department of Physics and Materials Science, Uppsala University, Uppsala Sweden, 2 Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen Thailand, 3 Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), Stockholm Sweden, 4 Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok Thailand, 5 ThEP, Commission on Higher Education, Bangkok Thailand

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4:00 PM - *
Break

4:30 PM - **W2.6
Increase the Hydrogen Uptake of Metal-Organic Frameworks (MOFs).

Hong-Cai (Joe) Zhou 1
1 Chemistry, Texas A&M University, College Station, Texas, United States

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5:00 PM - W2.7
Highly Porous Metal-Organic Framework Containing A Novel Organosilicon Linker – A Promising Material For Hydrogen Storage.

Michael Froeba 1 , Stephanie Wenzel 1 , Michael Fischer 1 , Frank Hoffmann 1
1 Department of Chemistry, University of Hamburg, Hamburg Germany

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5:15 PM - W2.8
Investigation of Metal Hydride Nanoparticles Templated in Metal Organic Frameworks.

Raghunandan Bhakta 1 , Julie Herberg 2 , Aaron Highley 1 , Richard Behrnes 1 , Mark Allendorf 1
1 , Sandia National Laboratories, Livermore, California, United States, 2 , Lawrence Livermore National Laboratory, Livermore, California, United States

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5:30 PM - W2.9
Unexpected Quantum Effects observed by NMR for Adsorbed Hydrogen in Interpenetrating MOFs at High Temperature.

Alfred Kleinhammes 1 , Robert Anderson 1 , Liqing Ma 2 , Wenbin Lin 2 , Yue Wu 1
1 Department of Physics and Astronomy and Curriculum in Applied and Materials Sciences, University of North Carolina, Chapel Hill, North Carolina, United States, 2 Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina, United States

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W3: Poster Session: Metal Hydrides, Simulation, Absorbers and Other Hydrides
Session Chairs
Etsuo Akiba
Shengbai Zhang
Tuesday AM, December 01, 2009
Exhibit Hall D (Hynes)

9:00 PM - W3.1
First-principles Calculations of Phonon and Thermodynamic Properties of Hydrogen Storage α-LaNi5H.

Masahiko Katagiri 1 , Shigeki Saito 1 , Hiroshi Ogawa 2
1 Computational Materials Science Center, National Institute for Materials Science, Tsukuba, Ibaraki, Japan, 2 Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki, Japan

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