Meetings & Events

2012 MRS Spring Meeting Logo

2012 MRS Spring Meeting & Exhibit

April 9-13, 2012 | San Francisco
Meeting Chairs: Lara A. Estroff, Jun Liu, Kornelius Nielsch, Kazumi Wada

Symposium P : Advanced Materials and Nanoframeworks for Hydrogen Storage and Carbon Capture

2012-04-10   Show All Abstracts

Symposium Organizers

Eric Majzoub, University of Missouri, St. Louis
Jason Graetz, Brookhaven National Laboratory
Vidvuds Ozolins, University of California, Los Angeles School of Engineering and Applied Sciences
Petra de Jongh, Utrecht University
P2: Carbon Capture Overview
Session Chairs
Eric Majzoub
Tuesday PM, April 10, 2012
Moscone West, Level 2, Room 2022

2:30 AM - *P2.1
Carbon Dioxide Capture in Metal-organic Frameworks

Thomas M McDonald 1 Zoey R Herm 1 Eric D Bloch 1 Kenji Sumida 1 2 Jarad A Mason 1 2 Jeffrey R. Long 1 2

1University of California, Berkeley Berkeley USA2Lawrence Berkeley National Laboratory Berkeley USA

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3:00 AM - P2.2
Effects of Pore Polarizability on the Interactions between Weakly Interacting Gases and Metal-organic Frameworks

Scott T Meek 1 John J Perry 1 Stephanie L Teich-McGoldrick 2 Jeffery A Greathouse 2 Mark D Allendorf 1

1Sandia National Laboratories Livermore USA2Sandia National Laboratories Albuquerque USA

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3:15 AM - P2.3
MOF for CO2 Sequestration

May Ling Ng 1 Gregory T Carroll 1 Stephen T Kelly 1 Andrey Shavorskiy 1 Pascal A Nigge 1 Hendrik Bluhm 1 Mary K Gilles 1

1Lawrence Berkeley National Laboratory Berkeley USA

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3:30 AM -
BREAK

4:00 AM - P2.4
Tuning Programmable Polymers for Reversible CO2 Sequestration

Dara Gough 1 Bruce Bunker 1 Dale Huber 1 Erik Spoerke 1

1Sandia National Labs Albuquerque USA

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4:15 AM - P2.5
Design and Evaluation of the Canopy Configurations of Liquid-like Nanoparticle Organic Hybrid Materials for CO2 Capture

Camille Petit 1 Youngjune Park 1 Andrew Kun-Yi Lin 1 Ah-Hyung Alissa Park 1

1Columbia University New York USA

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4:30 AM - P2.6
Probing CO2 Sorption on Hyperbranched Aminosilica with NEXAFS

Laura Espinal 1 Martin L Green 1 Cherno Jaye 1 Daniel A Fischer 1 Watcharop Chaikittisilp 2 Christopher W Jones 2

1NIST Gaithersburg USA2Georgia Institute of Technology Atlanta USA

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4:45 AM - P2.7
A Study of MgO Aerogels for CO2 Capture

Joshua Wilson 1 Tanya Faltens 1 Mingheng Li 1 Winny Dong 1

1Cal Poly Pomona Pomona USA

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5:00 AM - P2.8
Carbon Storage Properties of OMS-2 Manganese Oxide

Lan Li 1 Eric J Cockayne 1 Laura Espinal 1 Winnie Wong-Ng 1

1National Institute of Standards and Technology Gaithersburg USA

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5:15 AM - P2.9
Amorphous Mg-Al Mixed Oxide Materials Modified by Phosphorus Anion for CO2 Adsorption

Hyuk Jae Kwon 1 Jeong Gil Seo 1 Soonchul Kwon 1 Hyun Chul Lee 1

1Samsung Advanced Institute of Technology Yongin-si Republic of Korea

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5:30 AM - P2.10
Graphene Oxide Based High-surface Area NanoPorous Materials for Hydrogen Storage and Carbon Capture

Srinivas Gadipelli 1 2 Jacob Burress 1 Taner Yildirim 1 2

1National Institute of Standards and Technology Gaithersburg USA2University of Pennsylvania Philadelphia USA

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5:45 AM - P2.11
Atmospheric Carbon Dioxide Capture Using Zeolites

Nicholas R Stuckert 1 Ralph T Yang 1

1University of Michigan Ann Arbor USA

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P1: Hydrogen Storage Overviews
Session Chairs
Eric Majzoub
Tuesday AM, April 10, 2012
Moscone West, Level 2, Room 2022

9:00 AM - *P1.1
Remaining Challenges in Hydrogen Storage for Transportation

Scott W Jorgensen 1

1General Motors Warren USA

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9:30 AM - *P1.2
Methodology of Materials Discovery in Complex Metal Hydrides Using Experimental and Computational Tools

Ewa Ronnebro 1 Eric H Majzoub 2

1Pacific Northwest National Laboratory Richland USA2University of Missouri St. Louis USA

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10:00 AM - *P1.3
Transition between Bonding States of Hydrogen in Hydrides

Shin-ichi Orimo 1

1Tohoku University Sendai Japan

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10:30 AM - P1.4
Room Temperature High-pressure Storage of Molecular Hydrogen in Porous Carbon

John Vajo 1 Robert W Cumberland 1 Wen Li 1 Cunman Zhang 3 2 Mei Cai 2

1HRL Laboratories Malibu USA2General Motors Research and Development Center Warren USA3Tongji University Shanghai China

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10:45 AM - P1.5
The Role of Native Defects in the Decomposition of Complex Hydrides

Khang Hoang 1 2 Anderson Janotti 1 Chris G Van de Walle 1

1University of California Santa Barbara USA2Naval Research Laboratory Washington USA

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11:00 AM -
BREAK

11:30 AM - *P1.6
Theoretical Prediction of Hydrogen Storage Materials: Crystal Structures and Reaction Pathways

Yongsheng Zhang 1 Christopher Wolverton 1

1Northwestern University Evanston USA

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12:00 PM - P1.7
Research Status of Adsorbent Materials for On-board Hydrogen Storage Applications

Anne Dailly 1 Eric Poirier 2 Tyler Voskuilen 3

1General Motors Warren USA2Optimal Inc. Plymouth Township USA3Purdue University West Lafayette USA

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12:15 PM - P1.8
Reticular Materials for Hydrogen Storage

Stefano Leoni 1 Igor Baburin 1 Gotthard Seifert 1

1Dresden University of Technology Dresden Germany

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12:30 PM - P1.9
Reversibility Aspect of Lithium Borohydrides

Ming Au 1 Yaping Sun 2 Frederick E Pinkerton 3

1Savannah River National Laboratory Aiken USA2Clemson University Clemson USA3General Motors Warren USA

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2012-04-11   Show All Abstracts

Symposium Organizers

Eric Majzoub, University of Missouri, St. Louis
Jason Graetz, Brookhaven National Laboratory
Vidvuds Ozolins, University of California, Los Angeles School of Engineering and Applied Sciences
Petra de Jongh, Utrecht University
P4: Carbon Capture Materials Theory
Session Chairs
Brian Laird
Wednesday PM, April 11, 2012
Moscone West, Level 2, Room 2022

2:30 AM - *P4.1
Computational Carbon Capture

Berend Smit 1

1UC Berkeley Berend Smit USA

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3:00 AM - P4.2
Solid Sorbent Modeling in the Department of Energyrsquo;s Carbon Capture Simulation Initiative

David S Mebane 1 K. Sham Bhat 2 Leslie M Moore 2 Andrew Lee 1 Joanne Wendelberger 2 David C Miller 1

1National Energy Technology Laboratory Morgantown USA2Los Alamos National Laboratory Los Alamos USA

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3:15 AM - P4.3
Gas Diffusion in Zeolitic Imidazolate Frameworks with the rho; Topology from Molecular Dynamics

David L. Olmsted 1 Keith Ray 1 2 Jessica Burton 1 Yao Houndonougbo 3 Ning He 4 Brian Laird 4 Mark Asta 1

1University of California, Berkeley Berkeley USA2University of California, Berkeley Berkeley USA3Eastern Washington University Cheney USA4University of Kansas Lawrence USA

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3:30 AM -
BREAK

4:00 AM - *P4.4
Topology Dependence of CO2 Adsorption and Selectivity in Zeolitic Imidazolate Frameworks: A Combined Experimental and Computational Study

Brian B Laird 1 Ning He 1 Keith Ray 2 William Morris 3 Hiroyasu Furukawa 3 Peter Klonowski 3 Omar M Yaghi 3 Mark Asta 2

1University of Kansas Lawrence USA2University of California-Berkeley Berkeley USA3University of California-Los Angeles Los Angeles USA

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4:30 AM - P4.5
Estimating the Efficacy of Metal-organic Frameworks for Swing-sorption Carbon Capture

Jason Simmons 1 Hui Wu 1 2 Wei Zhou 1 2 Taner Yildirim 1 3

1NIST Gaithersburg USA2University of Maryland College Park USA3University of Pennsylvania Philadelphia USA

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4:45 AM - P4.6
First Principles Studies of CO2/CH4 Binding and Selectivity in Zeolitic Imidazolate Frameworks

Keith Ray 1 David Olmsted 2 Ning He 3 Yao Houndonougbo 4 Brian Laird 3 Mark Asta 2

1UC Berkeley Berkeley USA2UC Berkeley Berkeley USA3University of Kansas Lawrence USA4Eastern Washington University Cheney USA

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5:00 AM - P4.7
Understanding the Preferential Adsorption and Separation of CO2 over N2 in a Flexible Metal Organic Framework

Nour Nijem 1 Peter Thissen 1 Yanpeng Yao 2 Roberto Longo 1 Katy Roodenko 1 Haohan Wu 3 Yongang Zhao 3 Kyeongjae Cho 1 Jing Li 3 David Langreth 2 Yves Chabal 1

1University of Texas at Dallas Richardson USA2Rutgers University Piscataway USA3Rutgers University Piscataway USA

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5:15 AM - P4.8
Ionic Liquid/Metal-Organic Framework Composite for CO2 Capture: A Computational Investigation

Yifei Chen 1 Zhongqiao Hu 1 Krishna M Gupta 1 Jianwen Jiang 1

1National University of Singapore Singapore Singapore

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5:30 AM - P4.9
First-principles Studies of the Atomic, Electronic, and Magnetic Structure of alpha;-MnO2 (Cryptomelane)

Eric Cockayne 1 Lan Li 1

1NIST Gaithersburg USA

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5:45 AM - P4.10
Innovative Materials for Carbon Capture in Green Solvents

Sarah Baker 1 Carlos Valdez 1 Lucas Koziol 1 Tripp Floyd 1 Josh Stolaroff 1 William Bourcier 1 Felice Lightstone 1 Joe Satcher 1 Roger Aines 1

1Lawrence Livermore National Laboratory Livermore USA

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P3: Hydrogen Storage in Metal-organic Frameworks and Porous Carbons
Session Chairs
Petra de Jongh
Wednesday AM, April 11, 2012
Moscone West, Level 2, Room 2022

9:00 AM - *P3.1
Nanoconfinement Effects in Energy Storage Materials

Maximilian Fichtner 1

1Karlsruhe Institute of Technology Karlsruhe Germany

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P5: Poster Session
Session Chairs
Wednesday PM, April 11, 2012
Marriott, Yerba Buena, Salons 8-9

9:00 AM - P5.1
Effect of Temperature on Mesoporous Carbon Nanofibers for Hydrogen Storage Behaviors

Ji-Eun Im 1 Jing Li 1 Yong-Rok Kim 1

1Yonsei University Seoul Republic of Korea

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9:00 AM - P5.10
Hydrogen Storage in Carbon Cones

Jiri Muller 1 Hennig Heiberg-Andersen 1 Theodore Steriotis 2 A. Gotzias 2

1Institute for Energy Technology Kjeller Norway2NCRS "Demokritos" Aghia Paraskevi Attikis Greece

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9:00 AM - P5.11
Novel Synthetic Approaches towards Microporous Polymer Networks

Christian Widling 1 Eduard Preis 1 Ullrich Scherf 1 Satish Patil 2 Gunther Brunklaus 3 Johannes Schmidt 4 Arne Thomas 4

1Bergische Universitaet Wuppertal Wuppertal Germany2Indian Institute of Science Bangalore India3Max Plank Institut fuuml;r Polymerforschung Mainz Germany4Technische Universitaet Berlin Berlin Germany

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9:00 AM - P5.12
Stability and Hydroxylation of Isotypical MOFs Based on Paddle-wheel SBUs Containing Different Transition Metal Ions

Kui Tan 1 Nour Nijem 1 Qihan Gong 2 Jing Li 2 Yves J Chabal 1

1The University of Texas at Dallas Richardson USA2Rutgers University Piscataway USA

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9:00 AM - P5.13
Irreversible High-temperature Hydrogen Interaction with the Metal Organic Framework Cu3(BTC)2

Anna Grzech 1 Jie Yang 2 Theo J Dingemans 2 Subramanian Srinivasan 3 Pieter C.M.M. Magusin 3 Fokko M Mulder 1

1Delft University of Technology Delft Netherlands2Delft University of Technology Delft Netherlands3Eindhoven University of Technology Eindhoven Netherlands

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9:00 AM - P5.14
Size-scaling Behavior of Hydriding Phase Transformations in Nanocrystals

Rizia Bardhan 1 Lester O Hedges 1 Cary L Pint 2 Ali Javey 2 Stephen Whitelam 1 Jeffrey Urban 1

1Lawrence Berkeley National Lab Berkeley USA2University of California, Berkeley Berkeley USA

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9:00 AM - P5.16
Thermodynamic Tuning of Calcium Hydride by Fluorine Substitution

Eugenio Riccardo Pinatel 1 Line H Rude 2 Marta Corno 1 Piero Ugliengo 1 Torben R Jensen 2 Marcello Baricco 1

1University of Torino Torino Italy2Aarhus University Aarhus Denmark

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9:00 AM - P5.17
TEM Guided Microstructural Design of Magnesium Hydride Alloys with Capability for Room Temperature Volumetric Absorption Cycling

David Mitlin 1 Peter Kalisvaart 1 Mohsen Danaie 1 Shu Tao 2 Ben Zahiri 1 Helmut Fritzsche 3

1University of Alberta and NINT NRC Edmonton Canada2Eindhoven University of Technology Eindhoven Netherlands3Chalk River Laboratories Chalk River Canada

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9:00 AM - P5.19
Acid/Base Activation of Carbon Nanotubes and Their Application for CO2 Capture

Xiaotian Zhang 1 Rajender Gupta 1 Weixing Chen 1

1University of Alberta Edmonton Canada

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9:00 AM - P5.2
Measurement of Hydrogen Diffusivity through Amorphous Metallic Membranes

Wang Young-Im 1 Suh Jin-Yoo 1 Kim Ja Ryeong 1 Kim Yu Chan 1 Fleury Eric 1

1Korea Institute of Science and Technology Seoul Republic of Korea

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9:00 AM - P5.21
One-pot Synthesis of Mesoporous Magnesia-Alumina Composite and Their Activity in the CO2 Adsorption

Jeong Gil Seo 1 Hyuk Jae Kwon 1 Soonchul Kwon 1 Hyun Chul Lee 1

1Samsung Advanced Institute of Technology Seoul Republic of Korea

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