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New Alkali Doped Pillared Carbon Materials Designed to Achieve Practical Reversible Hydrogen Storage for Transportation
Abstract
We propose a new generation of materials to maximize reversible H2 storage at room temperature and modest pressures (<20 bars). We test these materials using grand canonical Monte Carlo simulations with a first-principles-derived force field and find that the Li pillared graphene sheet system can take up 6.5 mass% of H2 (a density of 62.9 kg/m(3) at 20 bars and room temperature. This satisfies the DOE (Department of Energy) target of hydrogen-storage materials for transportation. We also suggest ways to synthesize these systems. In addition we show that Li-doped pillared single-wall nanotubes can lead to a hydrogen-storage capacity of 6.0 mass% and 61.7 kg/m(3) at 50 bars and room temperature storage, which is close to the DOE target.
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Cited by
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Gadipelli, S., & Guo, Z. X. (2015) · Progress in Materials Science · doi:10.1016/j.pmatsci.2014.10.004 · Cited by 734
Han, S. S., Mendoza-Cortés, J. L., & Goddard III, W. A. (2009) · Chemical Society Reviews · doi:10.1039/b802430h · Cited by 594
Hydrogen storage in carbon materials—A review
Mohan, M., Sharma, V. K., Kumar, E. A., & Gayathri, V. (2019) · Energy Storage · doi:10.1002/est2.35 · Cited by 482
Conjugated microporous poly(phenylene butadiynylene)s
Jiang, J.-X., Su, F., Niu, H., Wood, C. D., Campbell, N. L., Khimyak, Y. Z., & Cooper, A. I. (2008) · Chem. Commun. · doi:10.1039/b715563h · Cited by 287
Combinatorial Search for Optimal Hydrogen-Storage Nanomaterials Based on Polymers
Lee, H., Choi, W. I., & Ihm, J. (2006) · Physical Review Letters · doi:10.1103/physrevlett.97.056104 · Cited by 262
Metadata
- Authors
- Deng, W.-Q., Xu, X., & Goddard, W. A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2004-04-21
- Volume
- 92
- Issue
- 16
- Pages
- 166103-166103
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2137778140
- Cited by
- 337
- References
- 0
- FWCI
- 8.54
- Type
- journal article
- Language
- en
- Open access
- closed
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- Deng, W.-Q., Xu, X., & Goddard, W. A. (2004). New Alkali Doped Pillared Carbon Materials Designed to Achieve Practical Reversible Hydrogen Storage for Transportation. Physical Review Letters. https://doi.org/10.1103/physrevlett.92.166103
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