The DOI matches its Crossref record; 18 of the 18 references it cites were found in a registry or an index.
Combinatorial Search for Optimal Hydrogen-Storage Nanomaterials Based on Polymers
Open accessAbstract
We perform an extensive combinatorial search for optimal nanostructured hydrogen-storage materials among various metal-decorated polymers using first-principles density-functional calculations. We take into account the zero-point vibration as well as the pressure- and temperature-dependent adsorption-desorption probability of hydrogen molecules. An optimal material we identify is Ti-decorated cis-polyacetylene with reversibly usable gravimetric and volumetric density of 7.6 wt % and 63 kg/m(3), respectively, near ambient conditions. We also propose "thermodynamically usable hydrogen capacity" as a criterion for comparing different storage materials.
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Cited by
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
Metadata
- Authors
- Lee, H., Choi, W. I., & Ihm, J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2006-08-04
- Volume
- 97
- Issue
- 5
- Pages
- 056104-056104
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2057544815
- Cited by
- 262
- References
- 18
- FWCI
- 13.46
- Type
- journal article
- Language
- en
- Open access
- green
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