The DOI matches its Crossref record; 18 of the 18 references it cites were found in a registry or an index.
Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage
Abstract
We explore theoretically the feasibility of functionalizing carbon nanostructures for hydrogen storage, focusing on the coating of C60 fullerenes with light alkaline-earth metals. Our first-principles density functional theory studies show that both Ca and Sr can bind strongly to the C60 surface, and highly prefer monolayer coating, thereby explaining existing experimental observations. The strong binding is attributed to an intriguing charge transfer mechanism involving the empty d levels of the metal elements. The charge redistribution, in turn, gives rise to electric fields surrounding the coated fullerenes, which can now function as ideal molecular hydrogen attractors. With a hydrogen uptake of >8.4 wt % on Ca32C60, Ca is superior to all the recently suggested metal coating elements.
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Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Accurate and simple analytic representation of the electron-gas correlation energy
Perdew, J. P., & Wang, Y. (1992) · Physical Review B · doi:10.1103/physrevb.45.13244 · Cited by 25,089
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Ground State of the Electron Gas by a Stochastic Method
Ceperley, D. M., & Alder, B. J. (1980) · Physical Review Letters · doi:10.1103/physrevlett.45.566 · Cited by 14,384
Hydrogen-storage materials for mobile applications
Schlapbach, L., & Züttel, A. (2001) · Nature · doi:10.1038/35104634 · Cited by 8,865
Storage of hydrogen in single-walled carbon nanotubes
Dillon, A. C., Jones, K. M., Bekkedahl, T. A., Kiang, C. H., Bethune, D. S., & Heben, M. J. (1997) · Nature · doi:10.1038/386377a0 · Cited by 3,802
Titanium-Decorated Carbon Nanotubes as a Potential High-Capacity Hydrogen Storage Medium
Yildirim, T., & Ciraci, S. (2005) · Physical Review Letters · doi:10.1103/physrevlett.94.175501 · Cited by 997
Clustering of Ti on a C60 Surface and Its Effect on Hydrogen Storage
Sun, Q., Wang, Q., Jena, P., & Kawazoe, Y. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0550125 · Cited by 750
Cited by
Ren, J., Musyoka, N. M., Langmi, H. W., Mathe, M., & Liao, S. (2017) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2016.11.195 · Cited by 707
Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
Lee, H., Ihm, J., Cohen, M. L., & Louie, S. G. (2010) · Nano Letters · doi:10.1021/nl902822s · Cited by 364
Lanthanum-catalysed synthesis of microporous 3D graphene-like carbons in a zeolite template
Kim, K., Lee, T., Kwon, Y., Seo, Y., Song, J., Park, J. K., Lee, H., Park, J. Y., Ihee, H., Cho, S. J., et al. (2016) · Nature · doi:10.1038/nature18284 · Cited by 317
Functionalized graphene materials for hydrogen storage
Jain, V., & Kandasubramanian, B. (2020) · Journal of Materials Science · doi:10.1007/s10853-019-04150-y · Cited by 299
Electric field enhanced hydrogen storage on polarizable materials substrates
Zhou, J., Wang, Q., Sun, Q., Jena, P., & Chen, X. S. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0905571107 · Cited by 286
Metadata
- Authors
- Yoon, M., Yang, S., Hicke, C., Wang, E., Geohegan, D., & Zhang, Z.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2008-05-22
- Volume
- 100
- Issue
- 20
- Pages
- 206806-206806
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2140479136
- Cited by
- 422
- References
- 18
- FWCI
- 15.52
- Type
- journal article
- Language
- en
- Open access
- closed
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- Yoon, M., Yang, S., Hicke, C., Wang, E., Geohegan, D., & Zhang, Z. (2008). Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage. Physical Review Letters. https://doi.org/10.1103/physrevlett.100.206806
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