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Title: Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

Authors:
ORCiD logo [1]; ;  [2];  [2]; ;  [1];  [3];  [1]; ORCiD logo [4];  [5]; ORCiD logo [6]
  1. Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia
  2. Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro Yuseong-gu, Daejeon, 305-701, Korea
  3. Power &, Energy Systems, Maritime Division, Defence Science and Technology Group, Department of Defence, 506 Lorimer Street, Fishermans Bend, Victoria 3207, Australia
  4. Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia; Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville, Victoria 3052, Australia; Latrobe Institute for Molecular Science, Bundoora, Victoria 3046, Australia; School of Chemical and Physical Sciences, Flinders University, Bedford Park, South Australia 5042, Australia
  5. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8139, United States
  6. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, Rue de l’Industrie 17, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1950 Sion, Switzerland
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1388094
DOE Contract Number:
SC0001015
Resource Type:
Journal Article
Resource Relation:
Journal Name: Chemistry of Materials; Journal Volume: 29; Journal Issue: 7; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University
Country of Publication:
United States
Language:
English
Subject:
membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Thornton, Aaron W., Simon, Cory M., Kim, Jihan, Kwon, Ohmin, Deeg, Kathryn S., Konstas, Kristina, Pas, Steven J., Hill, Matthew R., Winkler, David A., Haranczyk, Maciej, and Smit, Berend. Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage. United States: N. p., 2017. Web. doi:10.1021/acs.chemmater.6b04933.
Thornton, Aaron W., Simon, Cory M., Kim, Jihan, Kwon, Ohmin, Deeg, Kathryn S., Konstas, Kristina, Pas, Steven J., Hill, Matthew R., Winkler, David A., Haranczyk, Maciej, & Smit, Berend. Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage. United States. doi:10.1021/acs.chemmater.6b04933.
Thornton, Aaron W., Simon, Cory M., Kim, Jihan, Kwon, Ohmin, Deeg, Kathryn S., Konstas, Kristina, Pas, Steven J., Hill, Matthew R., Winkler, David A., Haranczyk, Maciej, and Smit, Berend. Thu . "Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage". United States. doi:10.1021/acs.chemmater.6b04933.
@article{osti_1388094,
title = {Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage},
author = {Thornton, Aaron W. and Simon, Cory M. and Kim, Jihan and Kwon, Ohmin and Deeg, Kathryn S. and Konstas, Kristina and Pas, Steven J. and Hill, Matthew R. and Winkler, David A. and Haranczyk, Maciej and Smit, Berend},
abstractNote = {},
doi = {10.1021/acs.chemmater.6b04933},
journal = {Chemistry of Materials},
number = 7,
volume = 29,
place = {United States},
year = {Thu Mar 16 00:00:00 EDT 2017},
month = {Thu Mar 16 00:00:00 EDT 2017}
}
  • The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage. Optimal features that maximize net capacitymore » at room temperature include pore sizes of around 6 Å and void fractions of 0.1, while at cryogenic temperatures pore sizes of 10 Å and void fractions of 0.5 are optimal. Finally, our top candidates are found to be commercially attractive as “cryo-adsorbents”, with promising storage capacities at 77 K and 100 bar with 30% enhancement to 40 g/L, a promising alternative to liquefaction at 20 K and compression at 700 bar.« less
  • The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage. Optimal features that maximize net capacitymore » at room temperature include pore sizes of around 6 Å and void fractions of 0.1, while at cryogenic temperatures pore sizes of 10 Å and void fractions of 0.5 are optimal. Finally, our top candidates are found to be commercially attractive as “cryo-adsorbents”, with promising storage capacities at 77 K and 100 bar with 30% enhancement to 40 g/L, a promising alternative to liquefaction at 20 K and compression at 700 bar.« less
  • The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage. Optimal features that maximize net capacitymore » at room temperature include pore sizes of around 6 Å and void fractions of 0.1, while at cryogenic temperatures pore sizes of 10 Å and void fractions of 0.5 are optimal. Our top candidates are found to be commercially attractive as "cryo-adsorbents", with promising storage capacities at 77 K and 100 bar with 30% enhancement to 40 g/L, a promising alternative to liquefaction at 20 K and compression at 700 bar.« less
  • Secure two-party cryptography is possible if the adversary's quantum storage device suffers imperfections. For example, security can be achieved if the adversary can store strictly less then half of the qubits transmitted during the protocol. This special case is known as the bounded-storage model, and it has long been an open question whether security can still be achieved if the adversary's storage were any larger. Here, we answer this question positively and demonstrate a two-party protocol which is secure as long as the adversary cannot store even a small fraction of the transmitted pulses. We also show that security canmore » be extended to a larger class of noisy quantum memories.« less
  • The state of bistable defects in crystalline silicon such as iron-boron pairs or the boron-oxygen defect can be changed at room temperature. In this letter, we experimentally demonstrate that the chemical state of a group of defects can be changed to represent a bit of information. The state can then be read without direct contact via the intensity of the emitted band-band photoluminescence signal of the group of defects, via their impact on the carrier lifetime. The theoretical limit of the information density is then computed. The information density is shown to be low for two-dimensional storage but significant formore » three-dimensional data storage. Finally, we compute the maximum storage capacity as a function of the lower limit of the photoluminescence detector sensitivity.« less